1,3-二甲基-5-吗啉-1H-吡唑-4-甲醛 | 26990-69-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 1,3-二甲基-5-吗啉-1H-吡唑-4-甲醛
• 中文别名: 1,3-二甲基-5-吗啡-1H吡唑-4-甲醛
• 英文名称: 1,3-dimethyl-5-morpholin-4-yl-1H-pyrazole-4-carbaldehyde
• 英文别名: 1,3-dimethyl-5-morpholin-4-yl-1H-pyrazole-4-carbaldehyde；1,3-dimethyl-5-morpholinopyrazole-4-aldehyde；1,3-Dimethyl-5-morpholino-1H-pyrazole-4-carbaldehyde；1,3-dimethyl-5-morpholin-4-ylpyrazole-4-carbaldehyde
• CAS: 26990-69-2
• 化学式: C₁₀H₁₅N₃O₂
• mdl: MFCD02681945
• 分子量: 209.248
• InChiKey: LWYDVSXDKNQUNB-UHFFFAOYSA-N

物化性质

• 熔点：
  73-75°C

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  47.4
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 安全说明：
  S24/25
• 海关编码：
  2934999090

SDS

Name:	1 3-Dimethyl-5-morpholino-1h-pyrazole-4-carbaldehyde 97% Material Safety Data Sheet
Synonym:
CAS:	26990-69-2

Section 1 - Chemical Product MSDS Name:1 3-Dimethyl-5-morpholino-1h-pyrazole-4-carbaldehyde 97% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
26990-69-2	1,3-Dimethyl-5-morpholino-1H-pyrazole-	97%	unlisted

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

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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.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately.
Notes to Physician:
Treat symptomatically and supportively.

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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.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical 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.

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Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 26990-69-2: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
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: yellow
Odor: odorless - slight odor
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 73 - 75 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C10H15N3O2
Molecular Weight: 209.25

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 26990-69-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1,3-Dimethyl-5-morpholino-1H-pyrazole-4-carbaldehyde - 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
No information available.
IMO
No information available.
RID/ADR
No information available.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 26990-69-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 26990-69-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 26990-69-2 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：

  1,3-二甲基-5-吗啉-1H-吡唑-4-甲醛 在 sodium hydroxide 、 羟胺 作用下， 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  Identification of antitumor activity of pyrazole oxime ethers

  摘要：

  A series of pyrazole oxime ether derivatives were prepared and examined as cytotoxic agents. In particular, 5-phenoxypyrazole was comparable to doxorubicin, while exhibiting very potent cytotoxicity against XF 498 and HCT15. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.03.082
• 作为产物：
  描述：

  1,3-二甲基-5-吡唑酮 在 三氯氧磷 作用下， 生成 1,3-二甲基-5-吗啉-1H-吡唑-4-甲醛
  参考文献：
  名称：

  Identification of antitumor activity of pyrazole oxime ethers

  摘要：

  A series of pyrazole oxime ether derivatives were prepared and examined as cytotoxic agents. In particular, 5-phenoxypyrazole was comparable to doxorubicin, while exhibiting very potent cytotoxicity against XF 498 and HCT15. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.03.082

文献信息

• 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same
  申请人：Green Jeffrey Neal

  公开号：US20060264460A1

  公开（公告）日：2006-11-23

  The present invention provides compounds of formula (I): and pharmaceutically acceptable salts thereof, wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , m and n are defined as described herein. The invention also provides methods of making the compounds of formula (I), and methods of treating inflammatory diseases, such as rheumatoid arthritis, in a mammal comprising administering a therapeutically effective amount of a compound of formula (I) to the mammal.

  本发明提供了如下式（I）的化合物及其药用可接受的盐，其中R1、R2、R3、R4、R5、R6、R7、R8、m和n的定义如本文所述。该发明还提供了制备如式（I）化合物的方法，以及治疗炎症性疾病（如类风湿性关节炎）的方法，包括向哺乳动物施用如式（I）化合物的治疗有效量。
• [EN] NEW PYRIDIN-2-ONE COMPOUNDS USEFUL AS INHIBITORS OF THROMBIN<br/>[FR] NOUVEAUX COMPOSES DE PYRIDIN-2-ONE UTILISABLES EN TANT QU'INHIBITEURS DE THROMBINE
  申请人：ASTRAZENECA AB

  公开号：WO2005075424A1

  公开（公告）日：2005-08-18

  There is provided a compound of formula I, wherein the dashed line, R1, R2, R3a, R3b, A, D, E, G and L have meanings given in the description, which compounds are useful as, or are useful as prodrugs of, competitive inhibitors of trypsin-like proteases, such as thrombin, and thus, in particular, in the treatment of conditions where inhibition of thrombin is beneficial (e.g. conditions, such as thrombo-embolisms, where inhibition of thrombin is required or desired, and/or conditions where anticoagulant therapy is indicated).

  提供了一个式I的化合物，其中虚线、R1、R2、R3a、R3b、A、D、E、G和L的含义如描述中所示，这些化合物可用作竞争性蛋白酶抑制剂，如凝血酶，或者可用作其前药，特别适用于需要抑制凝血酶有益的情况的治疗（例如需要或希望抑制凝血酶的情况，如血栓栓塞等情况，以及需要抗凝治疗的情况）。
• Introduction of <i>N</i>‐Containing Heterocycles into Pyrazole by Nucleophilic Aromatic Substitution
  作者：Min‐Sup Park、Hyun‐Ja Park、Koon Ha Park、Kee‐In Lee

  DOI：10.1081/scc-120030741

  日期：2004.12.31

  Abstract The nucleophilic aromatic substitution on 5‐chloropyrazoles activated by the electron‐withdrawing formyl group offers a useful method to introduce a wide range of N‐containing heterocycles into them. The rate of reaction was greatly affected by the electronic nature of the N‐1 substitution.

  摘要 吸电子甲酰基活化的 5-氯吡唑上的亲核芳香取代为将各种含氮杂环引入其中提供了一种有用的方法。N-1取代的电子性质对反应速率有很大影响。
• Piperazine Compounds With Herbicidal Effect
  申请人：Parra Rapado Liliana

  公开号：US20110207609A1

  公开（公告）日：2011-08-25

  Piperazine compounds of the formula I in which the variables are defined according to the description, their agriculturally suitable salts, processes and intermediates for preparing the piperazines of the formula I, compositions comprising them and their use as herbicides, i.e. for controlling harmful plants, and also a method for controlling unwanted vegetation which comprises allowing a herbicidally effective amount of at least one piperazine compound of the formula I to act on plants, their seed and/or their habitat.

  Piperazine化合物的公式I，其中变量根据描述定义，它们的农业适用盐，用于制备公式I的哌嗪的过程和中间体，包含它们的组合物以及它们作为除草剂的用途，即用于控制有害植物，还包括一种控制不受欢迎植被的方法，其中包括让至少一种公式I的哌嗪化合物的除草有效量作用于植物、它们的种子和/或它们的栖息地。
• Synthesis of 5-(hetarylmethylidene)pyrimidine-2,4,6(1H,3H,5H)-triones
  作者：E. A. Yurtaeva、A. G. Tyrkov

  DOI：10.1134/s1070428016020214

  日期：2016.2

  5H)-trione (barbituric acid) 1 due to the high mobility of methylene hydrogen atoms in the pyrimidine ring is known to be nitrated to 5,5-dinitrobarbituric acid and nitrosated to violuric acid [1]. Compound 1 as well as its 2-thioand 2selenoanalogs enter in the condensation with aromatic aldehydes and dialdehydes (terephthalic aldehyde), and also with heterocyclic aldehydes (2-furaldehyde, 5aryl-2

  Pyrimidine-2,4,6(1H,3H,5H)-trione (barbituric acid) 1 由于嘧啶环中亚甲基氢原子的高迁移率，已知可硝化为 5,5-二硝基巴比妥酸并亚硝化为紫尿酸酸 [1]。化合物 1 及其 2-硫代和 2-硒代类似物与芳香醛和二醛（对苯二甲醛）以及杂环醛（2-糠醛、5芳基-2-噻吩甲醛）或二酮（6,6二甲基-1- phenyl-6,7-dihydro-1Н-indazole-4,5-dione) 形成相应的 5-arylmethylidene(hetarylmethylidene) 衍生物 [2-6]。类似产物的形成也是嘧啶-2,4,6(1H,3H,5H)-三酮或其2-硫代类似物与2-单取代或2,6-二取代的γ-吡喃酮和4-吡啶酮 [7, 8]。