(S)-1-1-环己基丙-1-胺盐酸盐 | 19146-54-4

• 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: (S)-1-1-环己基丙-1-胺盐酸盐
• 英文名称: (S)-1-amino-1-cyclohexylpropane hydrochloride
• 英文别名: (S)-(-)-1-Cyclohexyl-1-amino-propan；(S)-1-Cyclohexylpropan-1-amine hydrochloride；(1S)-1-cyclohexylpropan-1-amine;hydrochloride
• CAS: 19146-54-4
• 化学式: C₉H₁₉N*ClH
• 分子量: 177.717
• InChiKey: RCZJYHDMXBYONO-FVGYRXGTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.73
• 重原子数：
  11
• 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：
  26
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (R)-methoxytrifluoromethylphenylacetyl chloride 、 (S)-1-1-环己基丙-1-胺盐酸盐 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 生成 N-((S)-1-Cyclohexyl-propyl)-3,3,3-trifluoro-2-methoxy-2-phenyl-propionamide
  参考文献：
  名称：

  Enantioselective synthesis of α,α-disubstituted amines from nitroalkenes

  摘要：

  Disubstituted nitroalkenes were converted into enantiomerically enriched amines (isolated as their hydrochloride salts) with enantiomeric excesses of 88 to > 95% in three steps: (a) highly stereoselective conjugate addition of the potassium salt of 4-phenyloxazolidin-2-one; (b) radical-mediated removal of the nitro group: (c) cleavage of the oxazolidinone. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(01)00323-8

文献信息

• Quinoline-4-carboxamide derivatives as NK-3 and NK-2 receptor antagonists
  申请人：SmithKline Beecham S.p.A.

  公开号：US20030212101A1

  公开（公告）日：2003-11-13

  A compound, or a solvate or a salt thereof, of formula (I): 1 wherein, Ar is an optionally substituted aryl or a C 5-7 cycloalkdienyl group, or an optionally substituted C 5-7 cycloalkyl group, or an optionally substituted single or fused ring aromatic heterocyclic group; R is hydrogen, linear or branched C 1-6 alkyl, C 3-7 cycloalkyl, C 3-7 cycloalkylalkyl; R 1 represents hydrogen or up to three optional substituents selected from the list consisting of: C 1-6 alkyl, C 1-6 alkenyl, aryl, C 1-6 alkoxy, hydroxy, halogen, nitro, cyano, carboxy, carboxamido, sulphonamido, C 1-6 alkoxycarbonyl, trifluoromethyl, acyloxy, amino or mono- and di-C 1-6 alkylamino; R 2 represents a moiety —(CH 2 ) n —NY 1 Y 2 wherein n is an integer in the range of from 1 to 9, Y 1 and Y 2 are independently selected from C 1-6 -alkyl; C 1-6 alkyl substituted with hydroxy, alkoxy, C 1-6 alkylamino or bis (C 1-6 alkyl) amino; C3-6 cycloalkyl; C4-6 azacycloalkyl; C 1-6 -alkenyl; aryl or aryl-C 1-6 -alkyl or Y 1 and Y 2 together with the nitrogen atom to which they are attached represent an optionally substituted N-linked single or fused ring heterocyclic group; R 3 is branched or linear C 1-6 alkyl, C 3-7 cycloalkyl, C 4-7 cycloalkylalkyl, optionally substituted aryl, or an optionally substituted single or fused ring aromatic heterocyclic group; and R 4 represents hydrogen or C 1-6 alkyl, R 5 represents hydrogen or halogen; a process for preparing such compounds, a pharmaceutical composition comprising such compounds and the use of such compounds and composition in medicine.

  式（I）的化合物，或其溶剂化物或盐，其中，Ar是可选择取代的芳基或C5-7环烯基基团，或可选择取代的C5-7环烷基基团，或可选择取代的单环或融合环芳香杂环基团；R是氢，直链或支链的C1-6烷基，C3-7环烷烷基，C3-7环烷烷基烷基；R1代表氢或来自以下列表中选择的最多三个可选取代基：C1-6烷基，C1-6烯基，芳基，C1-6烷氧基，羟基，卤素，硝基，氰基，羧基，羧胺基，磺胺基，C1-6烷氧羰基，三氟甲基，酰氧基，氨基或单-和双-C1-6烷基氨基；R2代表一个基团—（CH2）n—NY1Y2，其中n是1到9范围内的整数，Y1和Y2独立选择自C1-6烷基；C1-6烷基取代羟基，烷氧基，C1-6烷基氨基或双（C1-6烷基）氨基；C3-6环烷基；C4-6氮杂环烷基；C1-6烯基；芳基或芳基-C1-6烷基或Y1和Y2与它们连接的氮原子一起代表一个可选择取代的N-连接的单环或融合环杂环基团；R3是支链或直链的C1-6烷基，C3-7环烷烷基，C4-7环烷烷基烷基，可选择取代的芳基，或可选择取代的单环或融合环芳香杂环基团；和R4代表氢或C1-6烷基，R5代表氢或卤素；制备这种化合物的过程，包括这种化合物的药物组合物以及这种化合物和组合物在医学中的用途。
• US6780875B2
  申请人：——

  公开号：US6780875B2

  公开（公告）日：2004-08-24