cis tert-Butyl 4-aminocyclohexylcarbamate | 247570-24-7

• 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
• 英文名称: cis tert-Butyl 4-aminocyclohexylcarbamate
• 英文别名: tert-butyl N-[(1s,4s)-4-aminocyclohexyl]carbamate；cis-N-tert-Butoxycarbonyl-1,4-cyclohexanediamine；cis-(4-amino-cyclohexyl)-carbamic acid tert-butyl ester；cis (4-aminocyclohexyl)carbamic acid tert-butyl ester；cis-(4-aminocyclohexyl)carbamic acid tert-butyl ester；cis-(4-aminocyclohexyl)carbamic acid tert-butylester；N4-(tert-butoxycarbonyl)-cis-1,4-cyclohexanediamine
• CAS: 247570-24-7
• 化学式: C₁₁H₂₂N₂O₂
• 分子量: 214.308
• InChiKey: FEYLUKDSKVSMSZ-DTORHVGOSA-N

物化性质

• 沸点：
  322.1±31.0 °C(Predicted)
• 密度：
  1.02±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.78
• 重原子数：
  15.0
• 可旋转键数：
  1.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  64.35
• 氢给体数：
  2.0
• 氢受体数：
  3.0

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2924299090
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302
• 储存条件：
  室温

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 1-N-Boc-cis-1,4-cyclohexyldiamine
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H411: Toxic to aquatic life with long lasting effects
P273: Avoid release to the environment

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Section 3. Composition/information on ingredients.
Ingredient name: 1-N-Boc-cis-1,4-cyclohexyldiamine
CAS number: 247570-24-7

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Section 4. First aid measures
Immediately wash skin with copious amounts of water for at least 15 minutes while removing
Skin contact:
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.
Storage: Store in closed vessels, refrigerated.

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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
Not specified
Appearance:
Boiling point: No data
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C11H22N2O2
Molecular weight: 214.3

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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：

  cis tert-Butyl 4-aminocyclohexylcarbamate 在 tris-(dibenzylideneacetone)dipalladium(0) 、 copper(l) iodide 、 O-(benzotriazol-1-yl)- N,N,N’,N’-tetramethyluronium tetrafluoroborate 、 N,N-二异丙基乙胺 、 potassium hydroxide 、 2-二环己基磷-2,4,6-三异丙基联苯 作用下， 以 1,4-二氧六环 、 甲醇 、 二氯甲烷 、 水 为溶剂， 反应 2.17h， 生成
  参考文献：
  名称：

  在室温下离子加氢条件下通过吡啶-2-氧基-7-氮杂苯并三唑醚的裂解来合成3,4-二取代的吡啶-2（1H）-酮的新型文库

  摘要：

  在我们手中，事实证明，有效地使用4-氨基-3-羧酰胺双取代的吡啶-2（1 H）-一个激酶铰链结合基序比预期的更具挑战性，而这需要对路线搜寻和优化进行大量投资。这篇完整的论文重点介绍了我们在路线探索过程中遇到的合成问题以及我们发现的原始解决方案，这些解决方案有助于我们识别出两种优化的文库式流程，以制备大型激酶抑制剂文库。

  DOI：

  10.3762/bjoc.17.16
• 作为产物：
  描述：

  cis-4-Aminocyclohexanecarboxylic acid 在 palladium 10% on activated carbon sodium hydroxide 、 叠氮磷酸二苯酯 、 氢气 、 三乙胺 作用下， 以 四氢呋喃 、 乙醇 、 水 、 甲苯 为溶剂， 反应 4.0h， 生成 cis tert-Butyl 4-aminocyclohexylcarbamate
  参考文献：
  名称：

  WO2008/57468

  摘要：

  公开号：

文献信息

• HETEROBICYCLIC COMPOUNDS
  申请人：Amgen Inc.

  公开号：US20130225552A1

  公开（公告）日：2013-08-29

  Heterobicyclic compounds of Formula (I): or a pharmaceutically-acceptable salt, tautomer, or stereoisomer thereof, as defined in the specification, and compositions containing them, and processes for preparing such compounds. Provided herein also are methods of treating disorders or diseases treatable by inhibition of PDE10, such as obesity, non-insulin dependent diabetes, schizophrenia, bipolar disorder, obsessive-compulsive disorder, Huntington's Disease, and the like.

  Formula (I)的杂环化合物： 或其药用可接受的盐、互变异构体或立体异构体，如规范中所定义，并含有它们的组合物，以及制备这种化合物的方法。本文还提供了通过抑制PDE10来治疗由此可治疗的疾病或疾病的方法，如肥胖症、非胰岛素依赖型糖尿病、精神分裂症、躁郁症、强迫症、亨廷顿病等。
• [EN] NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS<br/>[FR] DERIVES DE NICOTINAMIDE UTILES EN TANT QU'INHIBITEURS DE PDE4
  申请人：PFIZER LTD

  公开号：WO2005009965A1

  公开（公告）日：2005-02-03

  This invention relates to nicotinamide derivative of general formula (I), in which R1, R2 and R3 have the meanings defined herein, and to compositions containing and the uses of such derivatives as PDE4 inhibitors.

  这项发明涉及一般式(I)的烟酰胺衍生物，其中R1、R2和R3具有本文中定义的含义，以及含有这些衍生物并将其用作PDE4抑制剂的组合物。
• HALO-SUBSTITUTED PYRIMIDODIAZEPINES
  申请人：Cai Jianping

  公开号：US20090318408A1

  公开（公告）日：2009-12-24

  The present invention provides PLK1 inhibitor compounds of formula I: useful in the treatment or control of cell proliferative disorders, particularly oncological disorders. These compounds and formulations containing such compounds may be useful in the treatment or control of solid tumors, such as, for example, breast, colon, lung and prostate tumors and other oncological diseases such as non-Hodgkin's lymphomas. Also provided are intermediate compounds useful in the synthesis of compounds of formula I.

  本发明提供了公式I的PLK1抑制剂化合物： 用于治疗或控制细胞增殖性疾病，特别是肿瘤性疾病。这些化合物和含有这些化合物的配方可能在治疗或控制实体肿瘤方面有用，例如乳腺癌、结肠癌、肺癌和前列腺癌等固体肿瘤，以及非霍奇金淋巴瘤等其他肿瘤性疾病。还提供了在合成公式I化合物中有用的中间体化合物。
• [EN] NOVEL COMPOUNDS<br/>[FR] NOUVEAUX COMPOSÉS
  申请人：GLAXO GROUP LTD

  公开号：WO2012035055A1

  公开（公告）日：2012-03-22

  The invention is directed to certain novel compounds. Specifically, the invention directed to compounds of formula (I) and salts thereof. The compounds of the invention are inhibitors of kinase activity, in particular Itk activity.

  这项发明涉及某些新颖的化合物。具体地，该发明涉及公式（I）的化合物及其盐。该发明的化合物是激酶活性抑制剂，特别是Itk活性的抑制剂。
• 5-Substituted isoquinoline derivatives
  申请人：Yamada Rintaro

  公开号：US20050020623A1

  公开（公告）日：2005-01-27

  A compound represented by the following formula (1) or a salt thereof: wherein R 1 represents hydrogen atom, a halogen atom and the like; R 2 represents hydrogen atom, a halogen atom, a C 1-6 alkyl group and the like; and R 3 represents —O—X—C(A 1 )(A 11 )—C(A 2 )(A 2l )—N(A 3l )(A 3 )(X represents propylene group etc., A 11 and A 21 represent hydrogen atom, or a C 1-6 alkyl group, A 31 represents a C 1-6 alkyl group substituted with hydroxyl group, or hydrogen atom, and A 1 , A 2 , and A 3 represent hydrogen atom, a C 1-6 alkyl group and the like) and the like, which has an inhibitory activity on the phosphorylation of myosin regulatory light chain, and is useful for treatment of diseases relating to contraction of various cells and the like.

  由以下公式（1）表示的化合物或其盐： 其中R1代表氢原子、卤素原子等；R2代表氢原子、卤素原子、C1-6烷基团等；R3代表—O—X—C(A1)(A11)—C(A2)(A21)—N(A31)(A3)（X代表丙烯基等，A11和A21代表氢原子或C1-6烷基团，A31代表被羟基取代的C1-6烷基团或氢原子，A1、A2和A3代表氢原子、C1-6烷基团等）等，该化合物对肌球蛋白调节轻链的磷酸化具有抑制作用，并且对涉及各种细胞收缩等的疾病的治疗有益。