1-氨甲基-1-环丙醇 | 74592-33-9

• 物质功能分类: 医药中间体 - 嘧啶类化合物
• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-氨甲基-1-环丙醇
• 中文别名: 1-(氨基甲基)-环丙醇；1-氨基甲基-1-环丙醇
• 英文名称: 1-(aminomethyl)cyclopropanol
• 英文别名: 1-(aminomethyl)cyclopropan-1-ol；1-aminomethyl-1-cyclopropanol
• CAS: 74592-33-9
• 化学式: C₄H₉NO
• 分子量: 87.1216
• InChiKey: JXJORHGRCCODBV-UHFFFAOYSA-N

物化性质

• 沸点：
  153.7±13.0 °C(Predicted)
• 密度：
  1.186±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1
• 重原子数：
  6
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  46.2
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2922199090
• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H332,H335
• 储存条件：
  应存储在2-8°C的环境中，避免光照，并保持在惰性气体中。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 1-(Aminomethyl)-cyclopropanol
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

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Section 3. Composition/information on ingredients.
Ingredient name: 1-(Aminomethyl)-cyclopropanol
CAS number: 74592-33-9

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Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

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Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

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Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

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Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels, refrigerated.
Storage:

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Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

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Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C4H9NO
Molecular weight: 87.1

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Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

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Section 14. Transportation information
Non-harzardous for air and ground transportation.

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Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

1-氨甲基-1-环丙醇

简介

1-氨甲基-1-环丙醇是一种氨基醇类化合物，主要用于医药化学中间体。其分子结构中含有一个高张力的环丙烷单元，对高温和强酸性条件较为敏感。通过结构中氨基和羟基的化学转化活性，该物质可用于含有环丙烷单元的药物分子和生物活性分子的制备。例如有相关文献报道，1-氨甲基-1-环丙醇可用于丙型肝炎病毒抑制剂的制备。

用途

在医药化学领域中，1-氨甲基-1-环丙醇广泛用作合成中间体，特别是在含有环丙烷单元的药物分子的制备过程中。通过烷基链上氨基单元的高化学转化活性，可以将环丙醇结构引入到目标分子结构中，从而在病毒抑制剂等生物活性分子的结构改造和合成中有一定的应用。该物质还可以与苯甲醛类化合物发生还原胺化反应，得到相应的N-苄基化衍生物，并有专利报道该种反应可用于二肽基肽酶1抑制剂腈衍生物的制备。

反应信息

• 作为反应物：
  描述：

  1-氨甲基-1-环丙醇 在 N,N'-羰基二咪唑 作用下， 以 四氢呋喃 为溶剂， 生成 4-oxa-6-azaspiro[2.4]heptan-5-one
  参考文献：
  名称：

  EP3786166

  摘要：

  公开号：
• 作为产物：
  描述：

  1-[[双(苯基甲基)氨基]甲基]环丙醇 在 palladium 10% on activated carbon 、 氢气 、 溶剂黄146 作用下， 以 甲醇 为溶剂， 生成 1-氨甲基-1-环丙醇
  参考文献：
  名称：

  环丙醇与 1,2,3-三唑开环偶联合成稠合三唑

  摘要：

  已经实现了环丙醇与1,2,3-三唑的自由基开环芳基化。该合成方案可以直接从容易获得的手性环丙醇中高效地获得各种结构多样的手性 4,5,6,7-四氢[1,2,3]三唑并[1,5- a ]吡啶。

  DOI：

  10.1021/acs.orglett.4c00702

文献信息

• [EN] 2-HETEROARYL-3-OXO-2,3-DIHYDROPYRIDAZINE-4-CARBOXAMIDES FOR THE TREATMENT OF CANCER<br/>[FR] 2-HÉTÉROARYL-3-OXO-2,3-DIHYDROPYRIDAZINE-4-CARBOXAMIDES POUR LE TRAITEMENT DU CANCER
  申请人：BAYER AG

  公开号：WO2018146010A1

  公开（公告）日：2018-08-16

  The present invention covers 2-heteroaryl-3-oxo-2,3-dihydropyridazine-4-carboxamide compounds of general formula (I), in which X, R1, R2, R3, R4 and R5 are as defined herein, methods of preparing said compounds, intermediate compounds useful for preparing said compounds, pharmaceutical compositions and combinations comprising said compounds and the use of said compounds for manufacturing pharmaceutical compositions for the treatment or prophylaxis of diseases, in particular of cancer or conditions with dysregulated immune responses or other disorders associated with aberrant AHR signaling, as a sole agent or in combination with other active ingredients.

  本发明涵盖了一般式(I)的2-杂环芳基-3-酮基-2,3-二氢吡啶嗪-4-羧酰胺化合物，其中X、R1、R2、R3、R4和R5如本文所定义，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，特别是癌症或与异常AHR信号传导相关的疾病，或与失调免疫反应或其他与异常AHR信号传导相关的疾病，作为单一药剂或与其他活性成分组合使用。
• [EN] IMIDAZOPYRROLOPYRIDINE AS INHIBITORS OF THE JAK FAMILY OF KINASES<br/>[FR] IMIDAZOPYRROLOPYRIDINE EN TANT QU'INHIBITEURS DE LA FAMILLE JAK DE KINASES
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2018112382A1

  公开（公告）日：2018-06-21

  2-((1r,4r)-4-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl)cyclohexyl)acetonitrile compounds, pharmaceutical compositions containing them, methods of making them, and methods of using them including methods for treating disease states, disorders, and conditions mediated by JAK, such as inflammatory bowel disease.

  2-((1r,4r)-4-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl)cyclohexyl)acetonitrile化合物，含有它们的药物组合物，制备它们的方法，以及使用它们的方法，包括用于治疗由JAK介导的疾病状态、紊乱和疾病，如炎症性肠病的方法。
• 免疫调节化合物、组合物及其应用
  申请人：杭州和正医药有限公司

  公开号：CN112812113B

  公开（公告）日：2022-09-20

  本发明公开了一类结构新颖的酰胺类化合物或其立体异构体或其立体异构体混合物及其药学上可接受的盐，以及在制备治疗从PD1或PD‑L1活性的抑制中获益的疾病、障碍或病症的药物中的应用。本发明化合物表现出很强的PD‑1/PD‑L1阻断活性，同时能够逆转PD‑L1抑制的T细胞功能。同时，本发明化合物能激活PD‑1/PD‑L1结合导致的NFAT信号通路，且可口服吸收，具有良好的药代动力学性质。因此，本发明的化合物可以应用于在单独或与其他药物联合应用治疗从PD1或PD‑L1活性的抑制中获益的疾病、障碍或病症中的应用，包括感染性疾病、免疫性疾病、炎性疾病和癌症。
• [EN] FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES<br/>[FR] PYRROLE CARBOXAMIDES SUBSTITUÉS PAR UN FLUOROMÉTHYLE
  申请人：GRUENENTHAL GMBH

  公开号：WO2014032801A1

  公开（公告）日：2014-03-06

  The invention relates to pyrrole carboxamides bearing a fluoromethyl- moiety as voltage gated calcium channel blockers, to pharmaceutical compositions containing these compounds and also to these compounds for use in the treatment and/or prophylaxis of pain and further diseases and/or disorders.

  这项发明涉及带有氟甲基基团的吡咯羧酰胺作为电压门控钙通道阻滞剂，以及含有这些化合物的药物组合物，还涉及这些化合物用于治疗和/或预防疼痛以及其他疾病和/或紊乱。
• [EN] SUBSTITUTED PIPERAZINE DERIVATIVES USEFUL AS T CELL ACTIVATORS<br/>[FR] DÉRIVÉS PIPÉRAZINE SUBSTITUÉS UTILES EN TANT QU'ACTIVATEURS DE LYMPHOCYTES T
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2021133749A1

  公开（公告）日：2021-07-01

  Disclosed are compounds of Formula (I): or a salt thereof, wherein: R1, R2, R4, R5, R6, and m are defined herein. Also disclosed are methods of using such compounds to inhibit the activity of one or both of diacylglycerol kinase alpha (DGKα) and diacylglycerol kinase zeta (DGKζ), and pharmaceutical compositions comprising such compounds. These compounds are useful in the treatment of viral infections and proliferative disorders, such as cancer.

  揭示了Formula (I)的化合物或其盐，其中：R1、R2、R4、R5、R6和m在此处被定义。还揭示了使用这些化合物来抑制二酰甘油激酶α(DGKα)和二酰甘油激酶ζ(DGKζ)中的一个或两个活性的方法，以及包含这些化合物的药物组合物。这些化合物在治疗病毒感染和增殖性疾病（如癌症）方面是有用的。