1-环己基-N-甲基-甲胺 | 25756-29-0

• 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: 1-环己基-N-甲基-甲胺
• 中文别名: 溴代三嗪；N-甲基-环己基甲胺；三(三溴苯基)三嗪；阻燃剂TBPC
• 英文名称: N-methylcyclohexylmethylamine
• 英文别名: 1-cyclohexyl-N-methylmethanamine；N-(cyclohexylmethyl)-N-methylamine；(Cyclohexylmethyl)(methyl)amine
• CAS: 25756-29-0
• 化学式: C₈H₁₇N
• mdl: MFCD01734787
• 分子量: 127.23
• InChiKey: IWHLPMBLJZJCJK-UHFFFAOYSA-N

物化性质

• 熔点：
  -15°C (estimate)
• 沸点：
  166.06°C (estimate)
• 密度：
  0.8455 (estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 海关编码：
  2921300090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
(Cyclohexylmethyl)(methyl)amine
Product Name:
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H302: Harmful if swallowed
H318: Causes serious eye damage
P280: Wear protective gloves/protective clothing/eye protection/face protection
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing

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Section 3. Composition/information on ingredients.
Ingredient name: (Cyclohexylmethyl)(methyl)amine
CAS number: 25756-29-0

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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
This product should be handled only by, or under the close supervision of, those properly qualified
Handling:
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
Appearance: Not specified
Boiling point: No data
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C8H17N
Molecular weight: 127.2

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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-环己基-N-甲基-甲胺 在 吡啶 、 bis-triphenylphosphine-palladium(II) chloride 、 四氯化钛 、 sodium carbonate 作用下， 以 四氢呋喃 、 氯仿 、 水 、 甲苯 为溶剂， 反应 54.33h， 生成 N-(cyclohexylmethyl)-3'-(1,1-dicyano-3-methylbut-1-en-2-yl)-N-methyl-5'-(trifluoromethyl)-1,1’-biphenyl-4-sulfonamide
  参考文献：
  名称：

  丝氨酸羟甲基转移酶（SHMT）抑制剂设计中的构象方面：联苯，芳基磺酰胺和芳基砜基序

  摘要：

  由于对市售药物的抗药性的不断出现，疟疾仍然是对人类的主要威胁。合成了二十一种带有末端联苯，芳基磺酰胺或芳基砜基序的吡唑并吡喃基抑制剂，并针对叶酸循环的关键酶丝氨酸羟甲基转移酶（SHMT）进行了测试。在低纳摩尔范围（18-56 n m）的基于细胞的测定中，最佳配体可抑制靶标中的恶性疟原虫（Pf）和拟南芥（At）SHMT以及Pf NF54菌株。间日疟原虫的七个共晶体结构（Pv）SHMT的分辨率为2.2–2.6Å。我们观察到邻位取代联苯部分的扭转角对基于细胞的功效产生了前所未有的影响。在与芳基磺酰胺类似物的络合物中突出显示了磺酰基部分的特殊亲脂性，它们以它们优选的交错方向结合。在配体的构象偏好的背景下讨论了结果。

  DOI：

  10.1002/chem.201703244
• 作为产物：
  描述：

  环己甲胺 在 sodium hydride 、 三氟乙酸 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 0.5h， 生成 1-环己基-N-甲基-甲胺
  参考文献：
  名称：

  New Synthesis of Tic-Hydantoins Sigma-1 Ligands and Pharmacological Evaluation on Cocaine-Induced Stimulant Effects

  摘要：

  新发现的伴侣蛋白σ1的激活涉及可卡因的精神刺激和成瘾效应的多个方面。开发选择性靶向σ1蛋白的配体可能会导致潜在强效抗可卡因药物的诞生。本文报道了一种新的、更趋同的合成途径，用于氨基酸侧链取代的乙内酰脲。合成了20种新的先导化合物类似物。其中没有一种在体外对σ1受体的亲和力超过先导化合物。然而，作为消旋体制备的三种化合物显示出对σ1受体的高体外亲和力和选择性。对它们药理活性的初步体内评价确定化合物22为一种能增强可卡因诱导的运动刺激作用的化合物，因此可作为潜在的高效σ1激动剂。

  DOI：

  10.2174/157340610793563956

文献信息

• [EN] HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES POUR LE TRAITEMENT D'ÉTATS LIÉS AU STRESS
  申请人：OTSUKA PHARMA CO LTD

  公开号：WO2010137738A1

  公开（公告）日：2010-12-02

  The present invention provides a novel heterocyclic compound. A heterocyclic compound represented by general formula (1) wherein, R1 and R2, each independently represent hydrogen; a phenyl lower alkyl group that may have a substituent(s) selected from the group consisting of a lower alkyl group and the like on a benzene ring and/or a lower alkyl group; or a cyclo C3-C8 alkyl lower alkyl group; or the like; R3 represents a lower alkynyl group or the like; R4 represents a phenyl group that may have a substituent(s) selected from the group consisting of a 1,3,4-oxadiazolyl group that may have e.g., halogen or a heterocyclic group selected from pyridyl group and the like; the heterocyclic group may have at least one substituent(s) selected from a lower alkoxy group and the like or a salt thereof.

  本发明提供了一种新颖的杂环化合物。一种由通式（1）表示的杂环化合物，其中，R1和R2分别独立表示氢；苯基较低烷基基团，可能在苯环和/或较低烷基基团上具有从较低烷基基团等组成的取代基；或环C3-C8烷基较低烷基基团；或类似物；R3表示较低炔基基团或类似物；R4表示可能具有从1,3,4-噁二唑基团（例如，卤素）或从吡啶基团等组成的取代基的苯基团；所述杂环基可能具有至少一个从较低烷氧基等选择的取代基或其盐。
• PHOSPHONATED RIFAMYCINS AND USES THEREOF FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS
  申请人：Rose Yannick Stephane

  公开号：US20110263534A1

  公开（公告）日：2011-10-27

  The present invention relates to phosphonated Rifamycins, and methods of making and using such compounds. These compounds are useful as antibiotics for prophylaxis and/or the treatment of bone and joint infections, especially for the prophylaxis and/or treatment of osteomyelitis.

  本发明涉及磷酸化利福霉素以及制备和使用这类化合物的方法。这些化合物可用作预防和/或治疗骨骼和关节感染的抗生素，特别是用于预防和/或治疗骨髓炎。
• Efficient Amination of Activated and Non‐Activated C(sp ³ )−H Bonds with a Simple Iron–Phenanthroline Catalyst
  作者：Lucie Jarrige、Zijun Zhou、Marcel Hemming、Eric Meggers

  DOI：10.1002/anie.202013687

  日期：2021.3.15

  available catalyst consisting of iron dichloride in combination with 1,10‐phenanthroline catalyzes the ring‐closing C−H amination of N‐benzoyloxyurea to form imidazolidin‐2‐ones in high yields. The C−H amination reaction is very general and applicable to benzylic, allylic, propargylic, and completely non‐activated aliphatic C(sp3)−H bonds, and it also works for C(sp2)−H bonds. The surprisingly simple method

  由二氯化铁与 1,10-菲咯啉组合组成的现成催化剂可催化N-苯甲酰氧基脲的闭环 C-H 胺化，以高产率形成咪唑烷-2-酮。C−H 胺化反应非常普遍，适用于苯甲基、烯丙基、炔丙基和完全非活化的脂肪族 C(sp 3 )−H 键，并且也适用于 C(sp 2 )−H 键。这种令人惊讶的简单方法可以在敞口烧瓶条件下进行。
• Diazinopyrimidines
  申请人：——

  公开号：US20040097493A1

  公开（公告）日：2004-05-20

  The present invention provides a compound of the formula: 1 or a pharmaceutically acceptable salt thereof, wherein R 1 , R 2 , R 3 , X 1 , X 2 , and Ar 1 are as defined herein. The present invention also provides a process for producing the same, compositions comprising the same, and methods for using the same.

  本发明提供了以下式的化合物： 1 或其药学上可接受的盐，其中R 1 ，R 2 ，R 3 ，X 1 ，X 2 和Ar 1 如本文所定义。本发明还提供了生产该化合物的方法，包含该化合物的组合物，以及使用该化合物的方法。
• [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。