4-羟基环己烷甲腈 | 24056-34-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 4-羟基环己烷甲腈
• 英文名称: 4-hydroxycyclohexane-1-carbonitrile
• 英文别名: 4-Cyanocyclohexanol；4-Hydroxycyclohexanecarbonitrile
• CAS: 24056-34-6
• 化学式: C₇H₁₁NO
• 分子量: 125.17
• InChiKey: WXWQWXGBEHIOBL-UHFFFAOYSA-N

物化性质

• 沸点：
  153-154 °C(Press: 12 Torr)
• 密度：
  1.05±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  44
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2926909090
• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H332,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-Hydroxycyclohexanecarbonitrile
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: 4-Hydroxycyclohexanecarbonitrile
CAS number: 24056-34-6

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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.
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: C7H11NO
Molecular weight: 125.2

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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

反应信息

• 作为反应物：
  描述：

  4-羟基环己烷甲腈 在 甲醇 、 4-二甲氨基吡啶 、 sodium 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 trans-4-Cyanocyclohexanol
  参考文献：
  名称：

  Praefcke, Klaus; Schmidt, Dietmar, Zeitschrift fur Naturforschung, Teil B: Anorganische Chemie, Organische Chemie, 1980, vol. 35, # 11, p. 1451 - 1454

  摘要：

  DOI：
• 作为产物：
  描述：

  4-氧代环己烷甲腈 在 sodium tetrahydroborate 作用下， 以 乙醇 为溶剂， 生成 4-羟基环己烷甲腈
  参考文献：
  名称：

  [EN] SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES AS RHO KINASE INHIBITORS
  [FR] ISOQUINOLINES ET ISOQUINOLINONES SUBSTITUÉES UTILISÉES COMME INHIBITEURS DE RHO-KINASE

  摘要：

  该发明涉及用于治疗和/或预防与Rho激酶和/或Rho激酶介导的肌球蛋白轻链磷酸酶磷酸化相关疾病的配方(I)的取代异喹啉和异喹啉酮，以及含有这种化合物的组合物。

  公开号：

  WO2009156100A1

文献信息

• TRIAZOLE ACC INHIBITORS AND USES THEREOF
  申请人：Gilead Apollo, LLC

  公开号：US20170166584A1

  公开（公告）日：2017-06-15

  The present invention provides triazole compounds useful as inhibitors of Acetyl CoA Carboxylase (ACC), compositions thereof, and methods of using the same.

  本发明提供了三唑化合物，可用作乙酰辅酶A羧化酶（ACC）的抑制剂，以及其组合物和使用方法。
• [EN] BROMODOMAIN INHIBITORS<br/>[FR] INHIBITEURS DE BROMODOMAINE
  申请人：ABBVIE INC

  公开号：WO2018068283A1

  公开（公告）日：2018-04-19

  Provided herein are compounds of formula (I) wherein R 1, Y, L 1, G 1, X 1, X 2, L 2, R 2, R 3, and R 4 have any of the values defined in the specification, and pharmaceutically acceptable salts thereof, which are useful as agents in the treatment of diseases and conditions, including inflammatory diseases, cancer, and AIDS. Also provided are pharmaceutical compositions comprising compounds of formula (I).

  本文提供了式（I）的化合物，其中R 1、Y、L 1、G 1、X 1、X 2、L 2、R 2、R 3和R 4具有规范中定义的任何值，以及其药学上可接受的盐，这些化合物在治疗疾病和病况中是有用的，包括炎症性疾病、癌症和艾滋病。还提供了包含式（I）化合物的药物组合物。
• Substituted sulfonamides, process of preparation and medicines
  申请人：Lipha Lyonnaise Industrielle Pharmaceutique

  公开号：US05387709A1

  公开（公告）日：1995-02-07

  The present invention concerns new substituted sulfonamides, and the physiologically acceptable salts possibly in the form of complexes, esters and amides thereof, represented by the formula: ##STR1##

  这项发明涉及新的取代磺胺基化合物，可能以其复合物、酯和酰胺的形式存在的生理上可接受的盐，其化学式如下：##STR1##
• PYRIMIDINONE DERIVATIVE HAVING AUTOTAXIN-INHIBITORY ACTIVITY
  申请人：The University of Tokyo

  公开号：US20170158704A1

  公开（公告）日：2017-06-08

  A compound according to any one of formula (Ia) to (Ic), or its pharmaceutically acceptable salt: wherein R 1 , R 2 , R 3 , R 4a , R 4c , R 5 are as defined in the description.

  根据公式（Ia）至（Ic）中的任一化合物或其药学上可接受的盐： 其中R1、R2、R3、R4a、R4c、R5如描述中所定义。
• Pyrimidine derivatives useful as inhibitors of PKC-theta
  申请人：Barbosa J.M. Antonio

  公开号：US20060025433A1

  公开（公告）日：2006-02-02

  Disclosed are novel compounds of formula (I): wherein X, Y, R 1 , R 2 and R 3 are as defined herein, which are useful as inhibitors of PKC-theta and are thus useful for treating a variety of diseases and disorders that are mediated or sustained through the activity of PKC-theta, including immunological disorders and type II diabetes. This invention also relates to pharmaceutical compositions comprising these compounds, methods of using these compounds in the treatment of various diseases and disorders, processes for preparing these compounds and intermediates useful in these processes.

  披露了公式(I)的新颖化合物：其中X、Y、R1、R2和R3如本文所述定义，它们作为PKC-theta的抑制剂是有用的，因此可用于治疗通过PKC-theta活性介导或维持的多种疾病和失调，包括免疫失调和II型糖尿病。本发明还涉及包含这些化合物的药物组合物、使用这些化合物治疗各种疾病和失调的方法、制备这些化合物的方法以及在这些过程中有用的中间体。