(R)-1-(2-(trifluoromethoxy)phenyl)ethan-1-amine | 1396816-27-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: (R)-1-(2-(trifluoromethoxy)phenyl)ethan-1-amine
• 英文别名: (R)-1-(2-(trifluoromethoxy)phenyl)ethanamine；(1R)-1-[2-(Trifluoromethoxy)phenyl]ethylamine；(1R)-1-[2-(trifluoromethoxy)phenyl]ethanamine
• CAS: 1396816-27-5
• 化学式: C₉H₁₀F₃NO
• 分子量: 205.18
• InChiKey: XDQINUYPIQISSS-ZCFIWIBFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  35.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  [(3aS,4R,6R,6aR)-2,2-dimethyl-4-[[6-methyl-2-methylsulfinyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methanol 、 (R)-1-(2-(trifluoromethoxy)phenyl)ethan-1-amine 以 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and SAR of pyridothiazole substituted pyrimidine derived HCV replication inhibitors

  摘要：

  Introduction of a nitrogen atom into the benzene ring of a previously identified HCV replication (replicase) benzothiazole inhibitor 1, resulted in the discovery of the more potent pyridothiazole analogues 3. The potency and PK properties of the compounds were attenuated by the introductions of various functionalities at the R-1, R-2 or R-3 positions of the molecule (compound 3). Inhibitors 38 and 44 displayed excellent potency, selectivity (GAPDH/MTS CC50), PK parameters in all species studied, and cross genotype activity. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.06.099

文献信息

• Optically active 1-(fluoro-, trifluoromethyl-or trifluoromethoxy-substituted phenyl) alkylamine n-monoalkyl derivatives and process for producing same
  申请人：——

  公开号：US20040235961A1

  公开（公告）日：2004-11-25

  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 R 2 —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, 1 wherein R represents a fluorine atom, trifluoromethyl group or trifluoromethoxy group, n represents an integer of from 1 to 5, each of R 1 and R 2 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.

  以式 4 为代表的光学活性 1-(氟、三氟甲基或三氟甲氧基取代苯基)烷基胺 N-单 烷基衍生物的制备方法包括 (a) 式 1 所代表的光学活性仲胺与烷基化剂 R 2 -X，在碱存在下反应，从而将仲胺转化为由式 3 表示的光学活性叔胺；以及 (b) 将叔胺进行氢解，从而生成 N-单烷基衍生物、 1 其中 R 代表氟原子、三氟甲基或三氟甲氧基，n 代表 1 至 5 的整数，每个 R 1 和 R 2 分别代表碳原子数为 1 至 6 的烷基，Me 代表甲基，Ar 代表苯基或 1 或 2-萘基，* 代表手性碳，X 代表离去基团。
• METHOD FOR PRODUCING OPTICALLY ACTIVE 1-(FLUORO-, TRIFLUOROMETHYL- OR TRIFLUOROMETHOXY-SUBSTITUTED PHENYL)ALKYLAMINE N-MONOALKYL DERIVATIVE
  申请人：Central Glass Co., Ltd.

  公开号：EP2036881B1

  公开（公告）日：2013-09-25
• OPTICALLY ACTIVE 1-(FLUORO-,TRIFLUOROMETHYL-OR TRIFLUOROMETHOXY-SUBSTITUTED PHENYL)ALKYLAMINE N-MONOALKYL DERIVATIVES AND PROCESS FOR PRODUCING SAME
  申请人：CENTRAL GLASS COMPANY, LIMITED

  公开号：EP1530562B1

  公开（公告）日：2011-11-30
• 1H-INDAZOLE CARBOXAMIDES AS RECEPTOR-INTERACTING PROTEIN KINASE 1 INHIBITORS (RIPK1)
  申请人：Bristol-Myers Squibb Company

  公开号：EP3849968A1

  公开（公告）日：2021-07-21
• Optically active 1-(fluoro-, trifluoromethyl- or trifluoromethoxy- substituted phenyl)alkylamine N-monoalkyl derivatives and process for producing same
  申请人：Ishii Akihiro

  公开号：US20070142670A1

  公开（公告）日：2007-06-21

  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 R 2 —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 R 1 and R 2 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.