1-甲基氨基-环己烷甲腈 | 6289-40-3

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 1-甲基氨基-环己烷甲腈
• 英文名称: 1-(methylamino)cyclohexane-1-carbonitrile
• 英文别名: 1-(Methylamino)cyclohexanecarbonitrile
• CAS: 6289-40-3
• 化学式: C₈H₁₄N₂
• mdl: MFCD00972028
• 分子量: 138.213
• InChiKey: DSMAHJDZYJDGTD-UHFFFAOYSA-N

物化性质

• 沸点：
  70-71 °C(Press: 2.2 Torr)
• 密度：
  0.95±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.875
• 拓扑面积：
  35.8
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2926909090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 1-(Methylamino)cyclohexanecarbonitrile
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-(Methylamino)cyclohexanecarbonitrile
CAS number: 6289-40-3

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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: C8H14N2
Molecular weight: 138.2

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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：

  1-甲基氨基-环己烷甲腈 在 盐酸 、 tetraphosphorus decasulfide 、 1,2,3,4-四氢萘 作用下， 生成 1-methyl-1,3-diaza-spiro[4.5]decane-2,4-dithione
  参考文献：
  名称：

  79.硫代乙内酰脲。第三部分 5：5-二取代乙内酰脲的N-和S-甲基衍生物及其一硫代和二硫代类似物

  摘要：

  DOI：

  10.1039/jr9500000354
• 作为产物：
  描述：

  三甲基氰硅烷 生成 1-甲基氨基-环己烷甲腈
  参考文献：
  名称：

  BARTON, D. H. R.;BILLION, A.;BOIVIN, J., TETRAHEDRON LETT., 1985, 26, N 9, 1229-1232

  摘要：

  DOI：

文献信息

• Pyrimidine hydantoin analogues which inhibit leukocyte adhesion mediated by VLA-4
  申请人：Konradi W. Andrei

  公开号：US20050261324A1

  公开（公告）日：2005-11-24

  Disclosed are compounds which bind VLA-4 and/or LPAM-1. Certain of these compounds also inhibit leukocyte adhesion and, in particular, leukocyte adhesion mediated by VLA-4 and/or LPAM-1. Such compounds are useful in the treatment of inflammatory diseases in a mammalian patient, e.g., human, such as asthma, Alzheimer's disease, atherosclerosis, AIDS dementia, diabetes, inflammatory bowel disease, rheumatoid arthritis, tissue transplantation, tumor metastasis and myocardial ischemia. The compounds can also be administered for the treatment of inflammatory brain diseases such as multiple sclerosis.

  披露了与VLA-4和/或LPAM-1结合的化合物。其中某些化合物还能抑制白细胞粘附，尤其是VLA-4和/或LPAM-1介导的白细胞粘附。这类化合物可用于治疗哺乳动物患者，如人类的炎症性疾病，例如哮喘、阿尔茨海默病、动脉粥样硬化、艾滋病痴呆、糖尿病、炎症性肠病、类风湿性关节炎、组织移植、肿瘤转移和心肌缺血。这些化合物也可用于治疗炎症性脑病，如多发性硬化症。
• NEW CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF
  申请人：Ebel Heiner

  公开号：US20120004252A1

  公开（公告）日：2012-01-05

  The present invention relates to novel antagonists for CCR2 (CC chemokine receptor 2) and their use for providing medicaments for treating conditions and diseases, especially pulmonary diseases like asthma and COPD.

  本发明涉及用于治疗疾病和疾病的新型CCR2（CC趋化因子受体2）拮抗剂及其用途，特别是用于治疗哮喘和慢性阻塞性肺病等肺部疾病的药物。
• Synthesis of a series of tetraminic acid sulfone analogs
  作者：Maria V. Popova、Alexey V. Dobrydnev、Maksim S. Dyachenko、Carine Duhayon、Dymytrii Listunov、Yulian M. Volovenko

  DOI：10.1007/s00706-016-1884-6

  日期：2017.5

  AbstractWe have introduced a strategy for the construction of spirocycloalkane 1λ6-isothiazolidine-1,1,4-triones through the mesylation of 1-aminocyclopentane-, 1-aminocyclohexane-, and 1-aminocycloheptanecarboxylic acid esters with methanesulfonylchloride followed by alkylation with methyl iodide and consequent cyclization in the presence of potassium tert-butoxide in N,N-dimethylformamide. The spirocycloalkane

  摘要我们引入了策略spirocycloalkane的1λ建设6 -isothiazolidine-1,1,4-三酮通过1-氨基环戊烷，1- aminocyclohexane-和1- aminocycloheptanecarboxylic酸酯甲磺酰化与甲磺酰氯，接着用甲基碘烷基化然后在叔丁醇钾存在下，在N，N-二甲基甲酰胺中环化。所述spirocycloalkane 4-氨基-2,3-二氢-1- ħ -1λ 6 -异噻唑烷-1,1-二酮通过甲磺酰化制备Ñ甲基化的1- aminocyclopentyl-，1- aminocyclohexyl-和1- aminocycloheptyl腈，接着处理得到ñ - （1- cyanocycloalkyl） -N-甲基甲磺酰胺与叔丁醇钾的N，N-二甲基甲酰胺。螺4-氨基-2,3-二氢-1- ħ -1λ 6 -异噻唑烷-1,1-二酮转化为目标螺1λ 6 -isothiazolidine-1
• Discovery of triazines as potent, selective and orally active PDE4 inhibitors
  作者：Rainer Gewald、Christian Grunwald、Ute Egerland

  DOI：10.1016/j.bmcl.2013.05.099

  日期：2013.8

  Expanding on HTS hit 4 afforded a series of [1,3,5]triazine derivatives as novel PDE4 inhibitors. The SAR development and optimization process with the emphasis on ligand efficiency and physicochemical properties led to the discovery of compound 44 as a potent, selective and orally active PDE4 inhibitor.

  在HTS命中4上的扩展提供了一系列[1,3,5]三嗪衍生物作为新型PDE4抑制剂。SAR的发展和优化过程着重于配体效率和理化性质，导致发现了化合物44作为有效，选择性和口服活性的PDE4抑制剂。
• N-Allyl analogs of phencyclidine: chemical synthesis and pharmacological properties
  作者：Asher Kalir、Shoshana Teomy、Adina Amir、P. Fuchs、Sung A. Lee、Elzbieta J. Holsztynska、Wieslaw Rocki、Edward F. Domino

  DOI：10.1021/jm00376a006

  日期：1984.10

  Several N-allyl derivatives of 1-phenylcyclohexylamine (PCA) were prepared, and their pharmacology was briefly characterized. The mono- and diallyl derivatives had phencyclidine-like activities in mice but were less potent behaviorally than phencyclidine (PCP). None were PCP antagonists. In vitro these compounds were competitive inhibitors of butyrylcholinesterase (BChE) and protected against inhibition

  制备了1-苯基环己胺（PCA）的几种N-烯丙基衍生物，并对其药理进行了简要表征。单和二烯丙基衍生物在小鼠中具有苯环利定样活性，但行为却不如苯环利定（PCP）。没有人是五氯苯酚拮抗剂。在体外，这些化合物是丁酰胆碱酯酶（BChE）的竞争性抑制剂，并受到DFP的抑制作用。此外，这些药物从小鼠脑匀浆中取代了ti化的N-甲基-4-哌啶基苯甲酸三tri化N-甲基-4-哌啶基苯并抑制了乙酰胆碱对分离的豚鼠回肠的作用。这些体外作用均与小鼠体内PCP样行为活动无关。