2-(4-嘧啶)丙二醛 | 28648-78-4

• 物质功能分类: 化学试剂 - 有机试剂 - 脂肪醛（含缩醛，半缩醛）
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 2-(4-嘧啶)丙二醛
• 中文别名: 2-(4-嘧啶)二甲醛；2-( 4-嘧啶)二甲醛
• 英文名称: 2-(4-pyrimidinyl)malondialdehyde
• 英文别名: 2-(pyrimidin-4-yl)malonaldehyde；2-(Pyrimidinyl-4)-malondialdehyd；4-Pyrimidyl-malondialdehyd；Pyrimidin-4-malonaldehyd；pyrimidin-4-yl-malonaldehyde；4-pyrimidinyl-propanedial；2-pyrimidin-4-ylpropanedial
• CAS: 28648-78-4
• 化学式: C₇H₆N₂O₂
• mdl: MFCD00216530
• 分子量: 150.137
• InChiKey: BQJUGEYYDDLNKB-UHFFFAOYSA-N

物化性质

• 熔点：
  227-232 °C
• 沸点：
  271.66°C (rough estimate)
• 密度：
  1.3375 (rough estimate)
• 稳定性/保质期：

  遵照规定使用和储存，则不会分解。

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  59.9
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xi,C
• 安全说明：
  S25,S36/37/39,S45
• 危险类别码：
  R34
• 海关编码：
  2933599090
• 储存条件：
  存放在阴凉干燥处即可。

SDS

Name:	2-(4-Pyrimidyl)malondialdehyde Material Safety Data Sheet
Synonym:	Non
CAS:	28648-78-4

Section 1 - Chemical Product MSDS Name:2-(4-Pyrimidyl)malondialdehyde Material Safety Data Sheet
Synonym:Non

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
28648-78-4	2-(4-Pyrimidyl)malondialdehyde	ca. 100	unlisted

Hazard Symbols: C
Risk Phrases: 34

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Causes burns.Corrosive.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
Causes gastrointestinal tract burns. May cause severe gastrointestinal tract irritation with nausea, vomiting and possible burns. The toxicological properties of this substance have not been fully investigated.
Inhalation:
Causes chemical burns to the respiratory tract.
Chronic:
Chronic inhalation and ingestion may cause effects similar to those of acute inhalation and ingestion.

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Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately. Do NOT allow victim to rub eyes or keep eyes closed.
Extensive irrigation with water is required (at least 30 minutes).
Skin:
Get medical aid immediately. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Destroy contaminated shoes.
Ingestion:
Do not induce vomiting. If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If breathing is difficult, give oxygen. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
Notes to Physician:
Antidote: None reported.

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Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use water spray, dry chemical, or foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Do not get in eyes, on skin, or on clothing. Keep container tightly closed. Do not ingest or inhale. Use only in a chemical fume hood. Discard contaminated shoes.
Storage:
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Corrosives area.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels.
Exposure Limits CAS# 28648-78-4: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to minimize contact with skin.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use. Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: Not available.
Odor: Odorless
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 230.00 deg C dec
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: slightly soluble
Specific Gravity/Density:
Molecular Formula: C7H6N2O2
Molecular Weight: 150.14

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Unstable.
Conditions to Avoid:
Heating to decomposition.
Incompatibilities with Other Materials:
Acids (mineral, non-oxidizing, e.g. hydrochloric acid, hydrofluoric acid, muriatic acid, phosphoric acid), acids (mineral, oxidizing, e.g. chromic acid, hypochlorous acid, nitric acid, sulfuric acid), acids (organic, e.g. acetic acid, benzoic acid, formic acid, methanoic acid, oxalic acid), amines (aliphatic and aromatic, e.g.
dimethyl amine, propylamine, pyridine, triethylamine), azo, diazo, and hydrazines (e.g. dimethyl hydrazine, hydrazine, methyl hydrazine), caustics (e.g. ammonia, ammonium hydroxide, calcium hydroxide, potassium hydroxide, sodium hydroxide), dithiocarbamates (e.g. ferbam, maneb, metham, thiram), metals (alkali and alkaline, e.g. cesium, potassium, sodium), nitrides (e.g. potassium nitride, sodium nitride), nitro compounds (organic, e.g. nitrobenzene, nitroglycerine, picric acid, trinitrotoluene), hydrocarbons (aliphatic, unsaturated, e.g. cyclopentene, ethylene, heptene), peroxides and hydroperoxides (organic, e.g. acetyl peroxide, benzoyl peroxide, butyl peroxide, methyl ethyl ketone peroxide), sulfides (inorganic, e.g. ferric sulfide, lead sulfide, sodium sulfide), epoxides (e.g. butyl glycidyl ether), oxidizing agents (strong, e.g.
bromine, hydrogen peroxide, nitrogen dioxide, potassium nitrate), reducing agents (strong, e.g. aluminum carbide, chlorosilane, hydrogen phosphide, lithium hydride), water reactive substances (e.g. acetic anyhdride, alkyl aluminum chloride, calcium carbide, ethyl dichlorosilane).
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, carbon dioxide.
Hazardous Polymerization: May occur.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 28648-78-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-(4-Pyrimidyl)malondialdehyde - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: CORROSIVE SOLID, N.O.S.*
Hazard Class: 8
UN Number: 1759
Packing Group: III
IMO
Shipping Name: CORROSIVE SOLID, N.O.S.
Hazard Class: 8
UN Number: 1759
Packing Group: III
RID/ADR
Shipping Name: CORROSIVE SOLID, N.O.S.
Hazard Class: 8
UN Number: 1759
Packing group: III

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 34 Causes burns.
Safety Phrases:
S 25 Avoid contact with eyes.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 28648-78-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 28648-78-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 28648-78-4 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2-(4-嘧啶)丙二醛 在 ammonium acetate 、 三溴化硼 、 sodium hydride 作用下， 以 二氯甲烷 、 溶剂黄146 、 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 反应 21.67h， 生成 (4bS,8R,8aS,13bR)-7-(cyclopropylmethyl)-8a-(3-phenylpropoxy)-11-(pyrimidin-4-yl)-6,7,8,8a,9,13b-hexahydro-5H-4,8-methanobenzofuro[3,2-h]pyrido[3,4-g]quinolin-1-ol
  参考文献：
  名称：

  5'-Aryl-14-alkoxypyridomorphinans 的合成和构效关系：鉴定具有全身镇痛活性和减少阿片类药物副作用的 μ 阿片受体激动剂/δ 阿片受体拮抗剂配体。

  摘要：

  我们之前鉴定了一种吡啶吗啡喃 ( 6 , SRI-22138)，在吡啶的 5'-位具有 4-氯苯基取代基，在吗啡喃的 14-位具有 3-苯基丙氧基作为混合 μ 阿片受体 (MOR) 激动剂和 δ/κ 阿片受体 (DOR/KOR) 拮抗剂，具有强效镇痛活性并降低啮齿动物的耐受性和依赖性。该分子 5' 和 14 位的结构变化让我们深入了解了结合和功能活性的结构-活性关系。细微的结构变化产生了重大影响，特别是对化合物在 MOR 中作为激动剂发挥作用的能力。体内评估鉴定出化合物20(SRI-39067) 作为 MOR 激动剂/DOR 拮抗剂，在小鼠甩尾试验中产生全身活性强效镇痛活性，与吗啡相比，耐受性、依赖性/戒断、奖赏责任和呼吸抑制降低。这些结果支持混合 MOR 激动剂/DOR 拮抗剂配体可能作为新型阿片类镇痛剂出现并减少副作用的假设。

  DOI：

  10.1021/acs.jmedchem.0c00503

文献信息

• Alpha-hydroxy sulfonate aldehydes, germicidal compositions containing the alpha-hydroxy sulfonate aldehydes, or mixtures of alpha-hydroxy sulfonate aldehydes and phthalaldehydes, and methods of using the compounds or compositions for disinfection or sterilization
  申请人：Zhu C. Peter

  公开号：US20050171201A1

  公开（公告）日：2005-08-04

  Disclosed herein are α-Hydroxy sulfonate aldehydes and synthesis methods therefor. Germicidal compositions including the α-hydroxy sulfonate aldehydes, are also disclosed. In one aspect, a germicidal composition may include a diluent, and a germicidally effective amount of a water-soluble germicidal compound including an aldehyde group and an α-hydroxy sulfonate group. The water-soluble compound may have a solubility of at least 5 (w/v) % in water. In a further aspect, the compound may include 1-hydroxy-3-oxo-2-phenyl-propane-1-sulfonic acid salt, (2-formyl-phenyl)-hydroxy-methane sulfonic acid salt, 1-hydroxy-2-(4-methanesulfonyl-2-nitro-phenyl)-3-oxo-propane-1-sulfonic acid salt, 2-bromo-1-hydroxy-3-oxo-propane-1-sulfonic acid salt, 2-chloro-1-hydroxy-3-oxo-propane-1-sulfonic acid salt, 2-(1-formyl-2-hydroxy-2-sulfo-ethyl)-isonicotinic acid salt, 2-benzooxazol-2-yl-1-hydroxy-3-oxo-propane-1-sulfonic acid salt, or 1-hydroxy-2-(4-methoxy-phenyl)-3-oxo-propane-1-sulfonic acid salt. Germicidal compositions including a mixture of an α-hydroxy sulfonate aldehyde and one or more phthalaldehydes, such as phthalaldehyde, isophthalaldehyde, terephthalaldehyde, or a combination thereof, are also disclosed. Methods of using the compounds or compositions for killing bacteria, disinfection, or sterilization, are also disclosed.

  本文披露了α-羟基磺酸醛及其合成方法。还披露了包括α-羟基磺酸醛的杀菌组合物。在一个方面，杀菌组合物可能包括稀释剂，以及包括醛基和α-羟基磺酸基团的水溶性杀菌化合物的有效量。这种水溶性化合物在水中的溶解度可能至少为5（w/v）％。在另一个方面，该化合物可能包括1-羟基-3-氧代-2-苯基-丙烷-1-磺酸盐，（2-甲酰基-苯基）-羟基-甲烷磺酸盐，1-羟基-2-(4-甲磺酰基-2-硝基苯基)-3-氧代-丙烷-1-磺酸盐，2-溴-1-羟基-3-氧代-丙烷-1-磺酸盐，2-氯-1-羟基-3-氧代-丙烷-1-磺酸盐，2-(1-甲酰基-2-羟基-2-磺基乙基)-异烟酸盐，2-苯并噁唑-2-基-1-羟基-3-氧代-丙烷-1-磺酸盐，或1-羟基-2-(4-甲氧基苯基)-3-氧代-丙烷-1-磺酸盐。还披露了包括α-羟基磺酸醛和一种或多种邻苯二甲醛的混合物的杀菌组合物，如邻苯二甲醛、异苯二甲醛、对苯二甲醛，或其组合物。还披露了使用这些化合物或组合物用于杀灭细菌、消毒或灭菌的方法。
• Germicidal compositions containing halogenated phthalaldehyes, and methods of using such compositions for disinfection or sterilization
  申请人：Zhu C. Peter

  公开号：US20050171215A1

  公开（公告）日：2005-08-04

  Germicidal compositions including a diluent, and a germicidal compound having the formula: wherein X is a halogen, and methods of using such compositions for killing bacteria, disinfection, or sterilization are disclosed. In one aspect, the composition may include a germicidally effective amount of the compound. For example, the composition may include an amount of the compound that is effective to kill at least 1×10 6 Mycobacterium terrae bacteria in contact with the composition in less than one hour with a bacteria suspension test at a temperature of 20° C. In another aspect, the compound may have a staining property that is less than that of phthalaldehyde.

  包括稀释剂的杀菌组合物，以及具有以下化学式的杀菌化合物：其中X是卤素，并公开了使用这种组合物用于杀灭细菌、消毒或灭菌的方法。在一个方面，该组合物可能包括化合物的杀菌有效量。例如，该组合物可能包括一定量的化合物，能够在与该组合物接触的情况下，在20°C的温度下，在不到一个小时的时间内杀死至少1×106土壤分枝杆菌，通过细菌悬浮测试。在另一个方面，该化合物可能具有比邻苯二甲醛更低的染色性能。
• Germicidal compositions containing phenylmalonaldehyde-type compounds, or mixtures of phenylmalonaldehyde-type compounds and phthalaldehydes, and methods of using such compositions for disinfection or sterilization
  申请人：Zhu C. Peter

  公开号：US20050171121A1

  公开（公告）日：2005-08-04

  Germicidal compositions containing phenylmalonaldehyde-type compounds, or mixtures of phenylmalonaldehyde-type compounds and phthalaldehydes, and methods of using such compositions for killing bacteria, disinfection, or sterilization, are disclosed. In one aspect, a germicidal composition may include a diluent, and a germicidal compound having the formula: wherein Ar is an aryl group that is selected from the group consisting of phenyl, 4-pyrimidinyl, and 2-(2-nitro-3-formyl-phenyl). In a further aspect, the composition may also include a germicidal efficacy enhancer such as isophthalaldehyde or a combination of isophthalaldehyde and terephthalaldehyde.

  揭示了含有苯基马隆醛类化合物或苯基马隆醛类化合物与邻苯二醛的混合物的杀菌组合物，以及使用这种组合物用于杀灭细菌、消毒或灭菌的方法。在一个方面，一种杀菌组合物可能包括一种稀释剂和一种具有以下结构式的杀菌化合物：其中 Ar 是从苯基、4-嘧啶基和2-(2-硝基-3-甲酰基苯基)等组成的芳基。在另一个方面，该组合物还可以包括一种杀菌效果增强剂，例如异苯二醛或异苯二醛与对苯二醛的组合物。
• Novel antibacterial agents
  申请人：Christensen G. Burton

  公开号：US20070134729A1

  公开（公告）日：2007-06-14

  This invention relates to novel multibinding compounds (agents) that are antibacterial agents. The multibinding compounds of the invention comprise from 2-10 ligands covalently connected by a linker or linkers, wherein each of said ligands in their monovalent (i.e., unlinked) state have the ability to bind to a an enzyme involved in cell wall biosynthesis and metabolism, a precursor used in the synthesis of the bacterial cell wall and/or the bacterial cell surface thereby interfere with the synthesis and/or metabolism of the cell wall. In particular the multibinding compounds of the invention comprise from 2-10 ligands covalently connected by a linker or linkers, wherein each of said ligands has a ligand domain capable of binding to penicillin binding proteins, a transpeptidase enzyme, a substrate of a transpeptidase enzyme, a beta-lactamase enzyme, pencillinase enzyme, cephalosporinase enzyme, a transglycoslase enzyme, or a transglycosylase enzyme substrate; Preferably, the ligands are selected from the beta lactam or glycopeptide class of antibacterial agents.

  本发明涉及一种新型多结合化合物（药剂），其为抗菌剂。该发明的多结合化合物由2-10个配体通过连接剂或连接剂共价连接而成，其中每个单价（即未连接的）配体具有与细胞壁生物合成和代谢中的酶、合成细菌细胞壁和/或细菌细胞表面的前体有结合能力，从而干扰细胞壁的合成和/或代谢。特别地，本发明的多结合化合物由2-10个配体通过连接剂或连接剂共价连接而成，其中每个配体具有能够结合青霉素结合蛋白、横向肽酶酶、横向肽酶酶底物、β-内酰胺酶、青霉素酶、头孢菌素酶、横向转移酶酶或横向转移酶酶底物的配体结构域。优选地，配体选自β-内酰胺类或糖肽类抗菌剂。
• Germicidal compositions containing phthalaldehyde mixtures and methods of using such compositions for disinfection or sterilization
  申请人：Ethicon, Inc.

  公开号：EP1559435A1

  公开（公告）日：2005-08-03

  Germicidal compositions including a phthalaldehyde and methods of using such compositions for killing bacteria, disinfection, or sterilization, are disclosed. In one aspect, a germicidal composition may include a diluent, a germicidal compound, such as phthalaldehyde, and an amount of isophthalaldehyde to enhance the germicidal efficacy of the germicidal compound. In the case of phthalaldehyde, the composition may have a staining property that is less than a staining property of a composition consisting essentially of phthalaldehyde diluted to the same concentration. In another aspect, the composition may further include an amount of terephthalaldehyde to enhance the germicidal efficacy of the phthalaldehyde. In yet another aspect, a germicidal composition may include a diluent, phthalaldehyde, and a material such as isophthalaldehyde, terephthalaldehyde, or a combination of isophthalaldehyde and terephthalaldehyde, in order to reduce a staining property of the phthalaldehyde.

  本发明涉及一种包括邻苯二甲醛的杀菌组合物及其用于杀菌、消毒或灭菌的方法。在一方面，一种杀菌组合物可以包括一种稀释剂、一种杀菌化合物（如邻苯二甲醛）以及一定量的异邻苯二甲醛，以增强杀菌化合物的杀菌效果。在邻苯二甲醛的情况下，该组合物的染色性质可能小于仅由邻苯二甲醛稀释到相同浓度的组合物的染色性质。在另一方面，该组合物还可以进一步包括一定量的对苯二甲醛，以增强邻苯二甲醛的杀菌效果。在另一方面，一种杀菌组合物可以包括一种稀释剂、邻苯二甲醛以及一种材料（如异邻苯二甲醛、对苯二甲醛或异邻苯二甲醛和对苯二甲醛的组合物），以减少邻苯二甲醛的染色性质。