(S)-2,2,2-trifluoro-N-pyrrolidin-2-ylmethyl-acetamide | 475106-37-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: (S)-2,2,2-trifluoro-N-pyrrolidin-2-ylmethyl-acetamide
• 英文别名: 2,2,2-trifluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide
• CAS: 475106-37-7
• 化学式: C₇H₁₁F₃N₂O
• 分子量: 196.172
• InChiKey: HFOGDMOLFCZQEC-YFKPBYRVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  41.1
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5-(4-fluoro-phenyl)-2-cyclopropyl-thiazole-4-carboxylic acid 、 (S)-2,2,2-trifluoro-N-pyrrolidin-2-ylmethyl-acetamide 在 O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate 、 N,N-二异丙基乙胺 作用下， 以 乙腈 为溶剂， 反应 3.25h， 以100%的产率得到(S)-N-{1-[2-cyclopropyl-5-(4-fluoro-phenyl)-thiazole-4-carbonyl]-pyrrolidin-2-ylmethyl}-2,2,2-trifluoro-acetamide
  参考文献：
  名称：

  2-CYCLOPROPYL-THIAZOLE DERIVATIVES

  摘要：

  该发明涉及公式（I）中所述的选择性2-环丙基噻唑衍生物，其中B、Y和R1如描述中所述；以及其盐，特别是药学上可接受的盐；以及将这些化合物用作药物，特别是促觉醒素受体拮抗剂的用途。

  公开号：

  US20100222328A1

文献信息

• N-aroyl cyclic amines
  申请人：——

  公开号：US20040143115A1

  公开（公告）日：2004-07-22

  This invention relates to N-aroyl cyclic amine derivatives and their use as orexin antagonists 1 wherein: Y represents a bond, oxygen, or a group (CH 2 ) n , wherein n represents 1, 2 or 3; m represents 1, 2, or 3; p represents ) or 1; X is NR, wherein R is H or (C 1-4 )alkyl; Ar 1 is aryl, or a mono or bicyclic heteroaryl group containing up to 3 heteroatoms selected from N, O and S; any of which may be optionally substituted; A 2 represents phenyl or a 5- or 6-membered heterocyclyl group containing up to 3 heteroatoms selected from N, O and S, wherein the phenyl or heterocyclyl group is substituted by R 1 and further optional substituents; or Ar 2 represents an optionally substituted bicyclic aromatic or bicyclic heteroaromatic group containing up to 3 heteroatoms selected from N, O and S; R 1 represents hydrogen, optionally substituted (C 1-4 )alkoxy, halo, cyano, optionally substituted (C 1-6 )alkyl, optionally substituted phenyl, or an optionally substituted 5- or 6-membered heterocyclyl group containing up to 4 heteroatoms selected from N, O and S; when Ar 1 is aryl p is not 1, or a pharmaceutical acceptable salt thereof.

  本发明涉及N-芳酰基环状胺衍生物及其作为促进睡眠荷尔蒙拮抗剂的用途，其中：Y代表键，氧或(CH2)n基团，其中n代表1、2或3；m代表1、2或3；p代表0或1；X为NR，其中R为H或(C1-4)烷基；Ar1为芳基，或含有最多3个N、O和S杂原子的单环或双环杂芳基基团，其中任何一个可以选择性地被取代；A2代表苯基或含有最多3个N、O和S杂原子的5-或6-成员杂环基团，其中苯基或杂环基团被R1和进一步可选取代基取代；或者Ar2代表一个可选择性取代的双环芳香基或双环杂芳香基团，其中含有最多3个N、O和S杂原子；R1代表氢，可选择性取代的(C1-4)烷氧基，卤素，氰基，可选择性取代的(C1-6)烷基，可选择性取代的苯基，或含有最多4个N、O和S杂原子的可选择性取代的5-或6-成员杂环基团；当Ar1为芳基时，p不为1；或其药学上可接受的盐。
• N-AROYL CYCLIC AMINES
  申请人：BRANCH Clive Leslie

  公开号：US20090029986A1

  公开（公告）日：2009-01-29

  Disclosed are N-aroyl cyclic amine derivatives having the formula: wherein the substituent variables are as defined herein, and their use as pharmaceuticals.

  揭示了具有以下公式的N-芳酰基环状胺衍生物： 其中取代基变量如此定义，并且它们作为药物的用途。
• Organocatalysts and Methods of Use in Chemical Synthesis
  申请人：Wang Wie

  公开号：US20070244328A1

  公开（公告）日：2007-10-18

  The present invention pertains generally to compositions comprising organocatalysts that facilitate stereo-selective reactions and the method of their synthesis and use. Particularly, the invention relates to metal-free organocatalysts for facilitation of stereo-selective reactions, and the method of their synthesis and use. These compounds have the structure of the Formulas (I) and (II). Where X is independently selected from CH 2 , N—R a , O, S or C═O; Y is CH 2 , N—R a , O, S or C═O, with the proviso that at least one of X or Y is CH 2 , and preferably both of X and Y are CH 2 ; R a is H, an optionally substituted C 1 -C 12 alkyl, preferably an optionally substituted C 1 -C 6 alkyl including a C 3 -C 6 cyclic alkyl group, or an optionally substituted aryl group, preferably an optionally substituted phenyl group; R b is H, an optionally substituted C 1 -C 12 alkyl, preferably an optionally substituted C 1 -C 6 acyclic or a a C 3 -C 6 cyclic alkyl group, CIIO, N(Me)O, CO(S)R a or the group of Formula (III). Where R c and R d are each independently H, F, Cl, an optionally substituted C 1 -C 20 alkyl, preferably an optionally substituted C 1 -C 12 alkyl, more preferably a C 1 -C 6 alkyl, and an optionally substituted aryl group, or together R c and R d form an optionally substituted carbocyclic or optionally substituted heterocyclic ring; R 1 is OH, OR, NR′R″, NHC(═O)R, NHSO 2 R; R 2 is H, F, Cl, an optionally substituted C 1 -C 20 alkyl, preferably an optionally substituted C 1 C 6 alkyl, an optionally substituted aryl group or a ═O group (which establishes a carbonyl group with the carbon to which ═O is attached; R 3 is H, OH, F, Cl, Br, I, Cl, an optionally substituted C 1 -C 20 alkyl, alkenyl or alkynyl (“hydrocarbyl”) group, preferably an optionally substituted C 1 -C 6 alkyl, or an optionally substituted aryl, such that the carbon to which R 3 is attached has an R or S configuration; R is II, an optionally substituted C 1 -C 20 alkyl, preferably an optionally substituted C 1 -C 6 alkyl, or an optionally substituted aryl group, R′ and R″ are each independently H, an optionally substituted C 1 -C 20 alkyl group, preferably an optionally substituted C 1 -C 6 alkyl, or an optionally substituted aryl group; or together R′ and R″ form an optionally substituted heterocyclic, preferably a 4 to 7 membered optionally substituted heterocyclic group or an optionally substituted heteroaryl ring with the nitrogen to which R′ and R″ are attached; and wherein said compound is free from a metal catalyst.

  本发明涉及一种包含有机催化剂的组合物，该组合物促进立体选择性反应及其合成和使用的方法。特别地，本发明涉及无金属有机催化剂，以促进立体选择性反应，以及其合成和使用的方法。这些化合物具有公式（I）和（II）的结构。其中，X独立地选自CH2、N—Ra、O、S或C═O；Y为CH2、N—Ra、O、S或C═O，但至少X或Y中的一个为CH2，最好是X和Y都为CH2；Ra为H、可选取代的C1-C12烷基，最好是可选取代的C1-C6烷基，包括C3-C6环烷基，或可选取代的芳基，最好是可选取代的苯基；Rb为H、可选取代的C1-C12烷基，最好是可选取代的C1-C6非环烷基或C3-C6环烷基，CIIO、N(Me)O、CO(S)Ra或公式（III）的基团。其中，Rc和Rd各自独立地为H、F、Cl、可选取代的C1-C20烷基，最好是可选取代的C1-C12烷基，更好是C1-C6烷基，以及可选取代的芳基，或者Rc和Rd一起形成可选取代的碳环或可选取代的杂环；R1为OH、OR、NR′R″、NHC(═O)R、NHSO2R；R2为H、F、Cl、可选取代的C1-C20烷基，最好是可选取代的C1-C6烷基、可选取代的芳基或═O基团（与═O相连的碳原子上形成羰基基团）；R3为H、OH、F、Cl、Br、I、Cl、可选取代的C1-C20烷基、烯基或炔基（“烃基”）团，最好是可选取代的C1-C6烷基，或可选取代的芳基，使得R3连接的碳原子具有R或S构型；R为II、可选取代的C1-C20烷基，最好是可选取代的C1-C6烷基，或可选取代的芳基团，R′和R″各自独立地为H、可选取代的C1-C20烷基团，最好是可选取代的C1-C6烷基，或可选取代的芳基团；或者R′和R″一起形成可选取代的杂环，最好是4到7个成员的可选取代的杂环基团或与R′和R″连接的氮原子一起形成可选取代的杂环芳基环；其中所述化合物不含金属催化剂。
• Dpp-Iv Inhibitors
  申请人：Edwards Paul John

  公开号：US20080027035A1

  公开（公告）日：2008-01-31

  The invention relates to compounds of formula (I) wherein Z, R 1-5 , X, n, A 1 and A 2 have the meaning as cited in the description and the claims. Said compounds are useful as DPP-IV inhibitors. The invention also relates to the preparation of such compounds as well as the production and use thereof as medicament.

  本发明涉及式（I）的化合物，其中Z，R1-5，X，n，A1和A2的含义如所述及权利要求中所述。所述化合物可用作DPP-IV抑制剂。本发明还涉及制备这种化合物以及其作为药物的生产和使用。
• 1-[2-(heterocyclyl-aminomethyl)-piperidin-1-YL]-1-(2-methyl-5-phenyl-heterocyclyl)-methanone derivatives and related compounds as orexin-1 antagonists for the treatment of obesity
  申请人：SMITHKLINE BEECHAM PLC

  公开号：EP1956020A2

  公开（公告）日：2008-08-13

  This invention relates to N-aroyl cyclic amine derivatives and their use as pharmaceuticals.

  本发明涉及 N-芳酰基环胺衍生物及其作为药物的用途。