5-二乙基胺基-2-戊醇 | 5412-69-1

• 物质功能分类: 有机原料 - 氨基化合物
• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 5-二乙基胺基-2-戊醇
• 中文别名: 5-二乙氨基-2-戊醇
• 英文名称: 5-diethylaminopentan-2-ol
• 英文别名: 5-diethylamino-2-pentanol；5-(diethylamino)pentan-2-ol
• CAS: 5412-69-1
• 化学式: C₉H₂₁NO
• 分子量: 159.272
• InChiKey: OAQYRNDEOJQVBN-UHFFFAOYSA-N

物化性质

• 沸点：
  284.8°C (rough estimate)
• 密度：
  0.86
• 稳定性/保质期：
  常温常压下稳定，避免与强氧化剂接触。

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  11
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  23.5
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S24/25
• 危险类别码：
  R36/37/38
• 海关编码：
  2922199090

SDS

Name:	5-Diethylamino-2-Pentanol 96% Material Safety Data Sheet
Synonym:	None known
CAS:	5412-69-1

Section 1 - Chemical Product MSDS Name:5-Diethylamino-2-Pentanol 96% Material Safety Data Sheet
Synonym:None known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
5412-69-1	5-Diethylamino-2-Pentanol	99	226-497-6

Hazard Symbols: XI
Risk Phrases: 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated.
Inhalation:
Causes respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Can produce delayed pulmonary edema.
Chronic:
Effects may be delayed.

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Section 4 - FIRST AID MEASURES
Eyes: Immediately 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. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Use water spray to keep fire-exposed containers cool. Water may be ineffective.
Material is lighter than water and a fire may be spread by the use of water. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Containers may explode when heated.
Extinguishing Media:
Water may be ineffective. Use agent most appropriate to extinguish fire. Cool containers with flooding quantities of water until well after fire is out. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions. Absorb spill using an absorbent, non-combustible material such as earth, sand, or vermiculite. Do not use combustible materials such as sawdust.
Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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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 adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 5412-69-1: 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 prevent skin exposure.
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.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Liquid
Color: clear yellow
Odor: amine-like
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
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: .8660g/cm3
Molecular Formula: C9H21NO
Molecular Weight: 159.27

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 5412-69-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
5-Diethylamino-2-Pentanol - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
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# 5412-69-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 5412-69-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 5412-69-1 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：

  5-二乙基胺基-2-戊醇 在 nickel(II) oxide 、 zirconium(IV) oxide 、 copper(II) oxide 、 氨 作用下， 生成 2-氨基-5-二乙基氨基戊烷
  参考文献：
  名称：

  合成关键中间体 novoldiamine 和 hydroxynovaldiamine 的可扩展工艺及其在氯喹、羟氯喹和 mepacrine 合成中的应用

  摘要：

  摘要 一种高效且可扩展的合成酚醛二胺和羟基酚醛二胺的工艺是由乙酰丙酸完成的，乙酰丙酸很容易从天然原料中获得。这些二胺被用作合成氯喹、羟氯喹和甲巴林的关键中间体。该过程涉及的关键步骤是乙酰丙酸与仲胺在1, 1'-羰基二咪唑的辅助下偶联和肟-酰胺官能团的一锅还原得到相应的二胺。

  DOI：

  10.1080/00397911.2022.2061358
• 作为产物：
  描述：

  2-甲基四氢呋喃 在 盐酸 作用下， 生成 5-二乙基胺基-2-戊醇
  参考文献：
  名称：

  Tsuda; Yoshida; Yamashina, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1946, vol. 66, p. 59

  摘要：

  DOI：

文献信息

• [EN] PRODRUG BIPYRIDYLAMINOPYRIDINES AS SYK INHIBITORS<br/>[FR] PROMÉDICAMENT BIPYRIDYLAMINOPYRIDINES EN TANT QU'INHIBITEURS DE SYK
  申请人：MERCK SHARP & DOHME

  公开号：WO2014074421A1

  公开（公告）日：2014-05-15

  The present invention provides compounds of Formula (I), which are prodrugs of trans-4-[(1R)-(6-[4-(difluoromethyl)pyridin-2-yl]amino}-4-methyl-2,3'-bipyridin-6'-yl)-1-hydroxyethyl]cyclohexanecarboxylic acid, a potent inhibitor of Syk. The compounds are useful in the treatment and prevention of diseases mediated by the enzyme, such as asthma, COPD, rheumatoid arthritis and cancer.

  本发明提供了化合物的公式（I），这些化合物是trans-4-[(1R)-(6-[4-(二氟甲基)吡啶-2-基]氨基}-4-甲基-2,3'-联吡啶-6'-基)-1-羟乙基]环己烷羧酸的前药，是Syk的有效抑制剂。这些化合物在治疗和预防由该酶介导的疾病方面非常有用，如哮喘、慢性阻塞性肺病、类风湿性关节炎和癌症。
• Detritylation Procedure under Non-Acidic Conditions: Naphthalene Catalysed­ Reductive Cleavage of Trityl Ethers
  作者：Miguel Yus、Cherif Behloul、David Guijarro

  DOI：10.1055/s-2003-41057

  日期：——

  benzylic trityl ethers 1 with lithium powder and a catalytic amount of naphthalene led to reductive cleavage of the trityl-oxygen bond, affording the corresponding alcohols 2 in good to excellent yields under very mild reaction conditions. The detritylation process could successfully be extended to several hydroxy, alkoxy and amino functionalised trityl ethers. This methodology represents a new and efficient

  伯、仲、烯丙基和苄基三苯甲基醚 1 与锂粉和催化量的萘的反应导致三苯甲基-氧键的还原断裂，在非常温和的反应条件下以良好至优异的产率提供相应的醇 2。去三苯甲基化过程可以成功地扩展到几种羟基、烷氧基和氨基官能化的三苯甲基醚。该方法代表了在非酸性反应条件下一种新的有效去三苯甲基化过程。
• [EN] 6-HYDROXYBENZOFURANYL- AND 6-ALKOXYBENZOFURANYL-SUBSTITUTED IMIDAZOPYRIDAZINES<br/>[FR] IMIDAZOPYRIDAZINES 6-HYDROXYBENZOFURANYL- ET 6-ALCOXYBENZOFURANYL-SUBSTITUÉES
  申请人：BAYER PHARMA AG

  公开号：WO2016102427A1

  公开（公告）日：2016-06-30

  The present invention relates to 6-hydroxybenzofuranyl- and 6-alkoxybenzofuranyl- substituted imidazopyridazine compounds of general formula (I) in which R1 and R2 are as defined in the claims, to methods of preparing said compounds, to intermediate compounds useful for preparing said compounds, to pharmaceutical compositions and combinations comprising said compounds and to the use of said compounds for manufacturing a pharmaceutical composition for the treatment or prophylaxis of a disease, in particular of a hyper-proliferative and/or angiogenesis disorder, as a sole agent or in combination with other active ingredients.

  本发明涉及一般式（I）中R1和R2如权利要求中所定义的6-羟基苯并呋喃基和6-烷氧基苯并呋喃基取代的咪唑吡啶嗪化合物，以及制备所述化合物的方法，用于制备所述化合物的有用中间体化合物，包含所述化合物的药物组合物和组合物，以及利用所述化合物制造用于治疗或预防疾病的药物组合物，特别是用作唯一药剂或与其他活性成分组合使用，用于治疗或预防过度增殖和/或血管生成紊乱的疾病。
• METHOD FOR THE CONTINUOUS PRODUCTION OF AN AMINE USING AN ALUMINUM-COPPER CATALYST
  申请人：Ernst Martin

  公开号：US20110172430A1

  公开（公告）日：2011-07-14

  Process for the continuous preparation of an amine by reaction of a primary or secondary alcohol, aldehyde and/or ketone with hydrogen and a nitrogen compound selected from the group consisting of ammonia, primary and secondary amines at a temperature in the range from 60 to 300° C. in the presence of a catalyst comprising copper oxide and aluminum oxide, wherein the reaction takes place in the gas phase and the catalytically active composition of the catalyst before reduction with hydrogen comprises PS from 20 to 75% by weight of aluminum oxide (Al 2 O 3 ), from 20 to 75% by weight of oxygen-comprising compounds of copper, calculated as CuO, from 0 to 2% by weight of oxygen-comprising compounds of sodium, calculated as Na 2 O, and less than 5% by weight of oxygen-comprising compounds of nickel, calculated as NiO, and the shaped catalyst body has a pellet shape having a diameter in the range from 1 to 4 mm and a height in the range from 1 to 4 mm.

  通过在60至300°C温度范围内，在气相中存在铜氧化物和氧化铝的催化剂的情况下，通过将一级或二级醇、醛和/或酮与氢气和从氨、一级和二级胺组成的氮化合物中选择的氮化合物反应，连续制备胺的过程，其中在还原之前，催化剂的催化活性组成包括氧化铝（Al2O3）的重量百分比为20至75%，氧化铜的重量百分比为20至75%，计为CuO的氧化物的重量百分比为0至2%，计为Na2O的氧化物的重量百分比为小于5%，计为NiO的氧化物的重量百分比为小于5%，并且成型催化剂体具有直径在1至4毫米范围内和高度在1至4毫米范围内的颗粒形状。
• Synthesis and spasmolytic activity of aminoalkyl 2-substituted-2-(1,2-benzisoxazol-3-yl)acetates.
  作者：SHUNSUKE NARUTO、SHOZO UEDA、TOYOKICHI YOSHIDA、HIROYUKI MIZUTA、KATSUYOSHI KAWASHIMA、TOSHIAKI KADOKAWA

  DOI：10.1248/cpb.35.2095

  日期：——

  Several aminoalkyl esters of 2- (1, 2-benzisoxazol-3-yl) -2-cyclohexylacetic acid, 1- (1, 2-benzisoxazol-3-yl) -1-cyclopentanecarboxylic acid, and 1- (1, 2-benzisoxazol-3-yl) -1-cyclohexanecarboxylic acid and their quaternary ammonium salts were synthesized. The anticholinergic (anti-Ach) and musculotropic (anti-KCl) activities of these compounds were examined. Among them, 3- (N, N-diethylamino) -propyl 2- (1, 2-benzisoxazol-3-yl) -2-cyclohexylacetate (8b) showed potent anti-Ach and anti-KCl activities.

  若干2-（1,2-苯并异噁唑-3-基）-2-环己基乙酸、1-（1,2-苯并异噁唑-3-基）-1-环戊烷羧酸和1-（1,2-苯并异噁唑-3-基）-1-环己烷羧酸的氨基烷基酯及其季铵盐被合成。这些化合物的抗胆碱能（抗乙酰胆碱）和肌肉亲和性（抗氯化钾）活性得到了检测。其中，3-（N,N-二乙基氨基）-丙基 2-（1,2-苯并异噁唑-3-基）-2-环己基乙酸酯（8b）表现出强效的抗乙酰胆碱和抗氯化钾活性。

表征谱图