(RS)-1-[3,5-双(三氟甲基)苯基]乙胺 | 187085-97-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: (RS)-1-[3,5-双(三氟甲基)苯基]乙胺
• 中文别名: 1-(3,5-双(三氟甲基)苯基)乙胺
• 英文名称: (RS)-α-methyl-3,5-bis(trifluoromethyl)benzenemethanamine
• 英文别名: rac-α-methyl-3,5-bis(trifluoromethyl)benzylamine；3,5-bis(trifluoromethyl)-α-methyl-benzylamine；1-(3,5-Bis-trifluoromethyl-phenyl)-ethylamine；(1RS)-1-[3,5-bis(trifluoromethyl)phenyl]ethylamine；1-(3,5-bis(trifluoromethyl)phenyl)ethanamine；1-(3,5-bis-trifluoromethylphenyl)ethylamine；1-[3,5-bis(trifluoromethyl)phenyl]ethanamine
• CAS: 187085-97-8
• 化学式: C₁₀H₉F₆N
• mdl: MFCD04038875
• 分子量: 257.179
• InChiKey: PFVWEAYXWZFSSK-UHFFFAOYSA-N

物化性质

• 沸点：
  168.9±35.0 °C(Predicted)
• 密度：
  1.327±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  7

安全信息

• 危险品标志：
  Xi
• 海关编码：
  2921499090

反应信息

• 作为反应物：
  描述：

  (RS)-1-[3,5-双(三氟甲基)苯基]乙胺 在 sodium cyanoborohydride 、 1-羟基苯并三唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 、 三乙胺 、 zinc(II) chloride 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 4-[4-(4-Fluoro-phenyl)-piperidin-1-yl]-1-phenyl-cyclohexanecarboxylic acid [(R)-1-(3,5-bis-trifluoromethyl-phenyl)-ethyl]-amide
  参考文献：
  名称：

  4,4-Disubstituted cyclohexylamine NK1 receptor antagonists I

  摘要：

  A series of novel 4,4-disubstituted cyclohexylamine based NK1 antagonists is described. The effect of changes to the C-1-C-4 relative stereochemistry on the cyclohexane ring and replacements for the flexible linker are discussed, leading to the identification of compounds with high affinity and good in vivo duration of action. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00249-4
• 作为产物：
  描述：

  1-(3,5-双(三氟甲基)苯基)乙胺 在 sodium hydroxide 作用下， 以 水 为溶剂， 以100%的产率得到(RS)-1-[3,5-双(三氟甲基)苯基]乙胺
  参考文献：
  名称：

  Cyclohexyl derivatives and their use as therapeutic agents

  摘要：

  本发明涉及以下式(I)的化合物：其中环A是苯环或吡啶环；X代表从以下组中选择的连接基：(a)、(b)、(c)、(d)、(e)、(f)、(g)、(h)、(i)、(j)、(k)、(l)和R，R1、R2、R3、R4、R5、R6、R7、R13、R14、R15、R16、R?17、R18、R19、R21a和R21b如本文所定义。这些化合物在治疗或预防抑郁症、焦虑、疼痛、炎症、偏头痛、呕吐或带状疱疹后神经痛方面特别有用。

  公开号：

  US20030225059A1

文献信息

• [EN] GAMMA-AMINOAMIDE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY<br/>[FR] MODULATEURS GAMMA-AMINOAMIDES DE L'ACTIVITE DE RECEPTEUR DE CHIMIOKINE
  申请人：MERCK & CO INC

  公开号：WO2004041279A1

  公开（公告）日：2004-05-21

  The present invention is directed to compounds of the formula (I), wherein R1, R2, R3, R4, R5, R6, R7, R8, R11, R12, W, X, and n are defined herein, which are useful as modulators of chemokine receptor activity. In particular, these compounds are useful as modulators of the chemokine receptor CCR-2.

  本发明涉及式(I)的化合物，其中R1、R2、R3、R4、R5、R6、R7、R8、R11、R12、W、X和n在此处定义，这些化合物可用作趋化因子受体活性的调节剂。特别是，这些化合物可用作趋化因子受体CCR-2的调节剂。
• [EN] UREA COMPOUNDS AS GAMMA SECRETASE MODULATORS<br/>[FR] COMPOSÉS D'URÉE ACYCLIQUES SERVANT DE MODULATEURS DE LA GAMMA-SÉCRÉTASE
  申请人：AMGEN INC

  公开号：WO2009137404A1

  公开（公告）日：2009-11-12

  The present invention provides compounds Formula (I) that are gamma secretase modulators and are therefore useful for the treatment of diseases treatable by modulation of gamma secretase such as Alzheimer's disease. Also provided are pharmaceutical compositions containing such compounds and processes for preparing such compounds.

  本发明提供了化合物Formula (I)，它们是γ-分泌酶调节剂，因此可用于治疗通过调节γ-分泌酶可治疗的疾病，如阿尔茨海默病。还提供了含有这些化合物的药物组合物以及制备这些化合物的方法。
• Indanyl-piperazine compounds
  申请人：De Nanteuil Guillaume

  公开号：US20060223830A1

  公开（公告）日：2006-10-05

  A compound selected from those of formula (I): wherein: R 3 represents a hydrogen atom, and R 1 and R 2 together with the carbon atoms carrying them form a benzene, naphthalene or quinoline ring structure, each of the ring structures being optionally substituted, or R 1 represents a hydrogen atom, and R 2 and R 3 together with the carbon atoms carrying them form a benzene, naphthalene or quinoline ring structure, each of the ring structures being optionally substituted, n represents 1 or 2, —X— represents a group selected from —(CH 2 ) m —O-Ak-, —(CH 2 ) m —NR 4 -Ak-, —(CO)—NR 4 -Ak- and —(CH 2 ) m —NR 4 -(CO)—, m represents an integer between 1 and 6 inclusive, Ak represents an optionally substituted alkylene chain, and R 4 represents a hydrogen atom or an alkyl group, Ar represents an aryl or heteroaryl group, its enantiomers, diasteroisomers, and addition salts thereof with a pharmaceutically acceptable acid. Medical products containing the same which are useful in the treatment of conditions requiring a serotonin reuptake inhibitor and/or NK 1 antagonist.

  从公式（I）中选择的化合物：其中：R3代表氢原子，R1和R2与携带它们的碳原子一起形成苯、萘或喹啉环结构，每个环结构可选择地被取代，或R1代表氢原子，R2和R3与携带它们的碳原子一起形成苯、萘或喹啉环结构，每个环结构可选择地被取代，n代表1或2，-X-代表从-(CH2)m-O-Ak-、-(CH2)m-NR4-Ak-、-(CO)-NR4-Ak-和-(CH2)m-NR4-(CO)-中选择的基团，m代表1到6之间的整数，Ak代表可选择地取代的烷基链，R4代表氢原子或烷基基团，Ar代表芳基或杂环芳基基团，它的对映异构体、顺反异构体和与药用酸形成的加合物。含有这些化合物的医药产品在治疗需要血清素再摄取抑制剂和/或NK1拮抗剂的病症中有用。
• [EN] OPTICALLY ACTIVE 1-(FLUORO-,TRIFLUOROMETHYL-OR TRIFLUOROMETHOXY-SUBSTITUTED PHENYL)ALKYLAMINE N-MONOALKYL DERIVATIVES AND PROCESS FOR PRODUCING SAME<br/>[FR] DERIVES DE 1-( PHENYLE A SUBSTITUTION FLUORO,TRIFLUOROMETHYLE OU TRIFLUOROMETHOXY)ALKYLAMINE N-MONOALKYLE OPTIQUEMENT ACTIFS ET LEUR PROCEDE DE PRODUCTION
  申请人：CENTRAL GLASS CO LTD

  公开号：WO2004022521A1

  公开（公告）日：2004-03-18

  An optically active 1-(fluoro-, trifluoromethyl- or trifluoromethoxy-substituted phenyl)alkylamine N-monoalkyl derivative represented by the formula [4] is produced by a process including (a) reacting an optically active secondary amine, represented by the formula [1], with an alkylation agent R2-X, in the presence of a base, thereby converting the secondary amine into an optically active tertiary amine represented by the formula [3]; and (b) subjecting the tertiary amine to a hydrogenolysis, thereby producing the N-monoalkyl derivative,wherein R represents a fluorine atom, trifluoromethyl group or trifluoromethoxy group, n represents an integer of from 1 to 5, each of R1 and R2 independently represents an alkyl group having a carbon atom number of from 1 to 6, Me represents a methyl group, Ar represents a phenyl group or 1- or 2-naphthyl group, * represents a chiral carbon, and X represents a leaving group.

  通过以下过程制备一种光学活性的1-(氟代、三氟甲基或三氟甲氧基取代的苯基)烷基胺N-单烷基衍生物，其化学式如下[4]：(a) 用碱存在下，将光学活性的二级胺（化学式[1]表示）与烷基化剂R2-X反应，从而将二级胺转化为光学活性的三级胺（化学式[3]表示）；(b) 将三级胺进行氢解作用，从而生成N-单烷基衍生物，其中R代表氟原子、三氟甲基基团或三氟甲氧基团，n代表1至5之间的整数，R1和R2分别代表具有1至6个碳原子的烷基基团，Me代表甲基基团，Ar代表苯基或1-或2-萘基，*代表一个手性碳，X代表一个离去基团。
• AGENT FOR INHIBITING EXPRESSION OF NPC1L1 AND/OR LIPG MRNA AND AGENT FOR PREVENTING AND/OR TREATING OBESITY
  申请人：KOWA COMPANY, LTD.

  公开号：US20140303198A1

  公开（公告）日：2014-10-09

  Provided is an agent for treating and/or preventing obesity. An agent for suppressing expression of NPC1L1 (Niemann-Pick disease, type C1, gene-like 1) and/or LIPG (Lipase, endothelial) mRNA, and an agent for preventing and/or treating obesity, each comprising, as an active ingredient, a compound having CETP inhibitory activity, or a salt thereof, or a solvate thereof.

  提供了一种用于治疗和/或预防肥胖的药剂。一种用于抑制NPC1L1（尼曼-匹克病C1型基因样1）和/或LIPG（内皮脂肪酶）mRNA表达的药剂，以及一种用于预防和/或治疗肥胖的药剂，每种药剂包括作为活性成分的具有CETP抑制活性的化合物，或其盐，或其溶剂化合物。