((3R,4R)-4-(trifluoromethyl)pyrrolidin-3-yl)methanol monohydrochloride | 2101775-10-2

• 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: ((3R,4R)-4-(trifluoromethyl)pyrrolidin-3-yl)methanol monohydrochloride
• 英文别名: trans-3-hydroxymethyl-4-trifluoromethylpyrrolidine hydrochloride；[(3R,4R)-4-(Trifluoromethyl)pyrrolidin-3-YL]methanol hydrochloride；[(3R,4R)-4-(trifluoromethyl)pyrrolidin-3-yl]methanol;hydrochloride
• CAS: 2101775-10-2
• 化学式: C₆H₁₀F₃NO*ClH
• 分子量: 205.608
• InChiKey: GOWTXUHBQKEZEX-JBUOLDKXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  32.3
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ((3R,4R)-4-(trifluoromethyl)pyrrolidin-3-yl)methanol monohydrochloride 在 2,6-二甲基吡啶 、 chloro(2-dicyclohexylphosphino-2,6-diisopropoxy-1,1-biphenyl)[2-(2-amino-1,1-biphenyl)]palladium(II) 2nd generation 、 potassium carbonate 作用下， 以 1,4-二氧六环 、 二氯甲烷 、 乙腈 为溶剂， 反应 9.0h， 生成
  参考文献：
  名称：

  [EN] NOVEL PYRROLIDINE AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE
  [FR] NOUVEAUX COMPOSÉS DE PYRROLIDINE AMINE POUR LE TRAITEMENT D'UNE MALADIE AUTO-IMMUNE

  摘要：

  本发明涉及式(I)的化合物，其中R1、R2、R3和R4如本文所述，以及其药学上可接受的盐、对映体或二对映异构体，以及包括这些化合物的组合物和使用这些化合物的方法。

  公开号：

  WO2020048605A1

文献信息

• Quinolinecarboxylic acid derivatives and salts thereof
  申请人：Kaken Pharmaceutical Co., Ltd.

  公开号：US05668147A1

  公开（公告）日：1997-09-16

  Quinolinecarboxylic acid derivatives which are represented by the general formula (I) ##STR1## wherein R.sub.1 is a C.sub.1 to C.sub.6 alkyl group which may be substituted, a C.sub.2 to C.sub.6 alkenyl group which may be substituted, a C.sub.3 to C.sub.7 cycloalkyl group which my be substituted or an aryl group which may be substituted, R.sub.2 is hydrogen atom; a halogen atom; hydroxyl group which may be protected, amino group or a C.sub.1 to C.sub.6 alkylamino group each of which may be protected; a C.sub.1 to C.sub.6 dialkylamino group or a C.sub.1 to C.sub.6 alkyl group, R.sub.3 is hydrogen atom or a C.sub.1 to C.sub.6 alkyl group, A is nitrogen atom or ##STR2## wherein A' is hydrogen atom. a halogen atom, a C.sub.1 to C.sub.6 alkyl group, a C.sub.1 to C.sub.6 alkoxyl group which may be substituted, cyano group, or nitro group, and A' may form a ring with R.sub.1 ; the ring may include oxygen atom, nitrogen atom, or sulfur atom as a constituent atom; the ring may be substituted with a C.sub.1 to C.sub.6 alkyl group, X is hydroxymethyl group; aminomethyl group or amino group each of which may be protected, and salts thereof, and antibacterial agents which comprise the quinolinecarboxylic acid derivatives and salts thereof as active ingredients, and therapeutical methods thereby.

  喹啉羧酸衍生物的一般公式（I）如下所示：其中R.sub.1是一个可能被取代的C.sub.1到C.sub.6烷基基团，一个可能被取代的C.sub.2到C.sub.6烯基基团，一个可能被取代的C.sub.3到C.sub.7环烷基基团或一个可能被取代的芳基基团，R.sub.2是氢原子；卤素原子；可能被保护的羟基，氨基或一个可能被保护的C.sub.1到C.sub.6烷基氨基基团；一个C.sub.1到C.sub.6二烷基氨基基团或一个C.sub.1到C.sub.6烷基基团，R.sub.3是氢原子或一个C.sub.1到C.sub.6烷基基团，A是氮原子或##STR2##其中A'是氢原子。卤素原子，一个C.sub.1到C.sub.6烷基基团，一个可能被取代的C.sub.1到C.sub.6烷氧基团，氰基或硝基，A'可以与R.sub.1形成一个环；该环可以包括氧原子、氮原子或硫原子作为构成原子；该环可以被一个C.sub.1到C.sub.6烷基基团取代，X是羟甲基基团；氨甲基基团或氨基每个可能被保护，及其盐，以及以喹啉羧酸衍生物和其盐为活性成分的抗菌剂，以及通过这种方法进行的治疗方法。
• QUINOLINECARBOXYLIC ACID DERIVATIVE AND SALT THEREOF
  申请人：KAKEN PHARMACEUTICAL CO., LTD.

  公开号：EP0726269A1

  公开（公告）日：1996-08-14

  Quinolinecarboxylic acid derivatives which are represented by the general formula (I) wherein R1 is a C1 to C6 alkyl group which may be substituted, a C2 to C6 alkenyl group which may be substituted, a C3 to C7 cycloalkyl group which may be substituted or an aryl group which may be substituted, R2 is hydrogen atom; a halogen atom; hydroxyl group which may be protected, amino group or a C1 to C6 alkylamino group each of which may be protected; a C1 to C6 dialkylamino group or a C1 to C6 alkyl group, R3 is hydrogen atom or a C1 to C6 alkyl group, A is nitrogen atom or wherein A' is hydrogen atom, a halogen atom, a C1 to C6 alkyl group, a C1 to C6 alkoxyl group which may be substituted, cyano group, or nitro group, and A' may form a ring with R1; the ring may include oxygen atom, nitrogen atom, or sulfur atom as a constituent atom; the ring may be substituted with a C1 to C6 alkyl group, X is hydroxymethyl group; aminomethyl group or amino group each of which may be protected, and salts thereof, and antibacterial agents which comprise the quinolinecarboxylic acid derivatives and salts thereof as active ingredients, and therapeutical methods thereby.

  通式(I)表示的喹啉羧酸衍生物 其中 R1 是可被取代的 C1 至 C6 烷基、可被取代的 C2 至 C6 烯基、可被取代的 C3 至 C7 环烷基或可被取代的芳基，R2 是氢原子；卤素原子；可被保护的羟基、氨基或 C1 至 C6 烷基氨基，其中每个都可被保护；C1 至 C6 二烷基氨基或 C1 至 C6 烷基、 R3 是氢原子或 C1 至 C6 烷基、 A 是氮原子或 其中 A'是氢原子、卤素原子、C1 至 C6 烷基、可被取代的 C1 至 C6 烷氧基、氰基或硝基，A'可与 R1 形成环；环的组成原子可包括氧原子、氮原子或硫原子；环可被 C1 至 C6 烷基取代、 X 是羟甲基、氨甲基或氨基，其中每个基团都可以被保护、 及其盐类，以及包含喹啉羧酸衍生物及其盐类作为活性成分的抗菌剂及其治疗方法。
• QUINOLINECARBOXYLIC ACID DERIVATIVES AND SALTS THEREOF
  申请人：KAKEN PHARMACEUTICAL CO., LTD.

  公开号：EP0726269B1

  公开（公告）日：2001-09-05
• NOVEL PYRROLIDINE AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE
  申请人：F. Hoffmann-La Roche AG

  公开号：EP3847165A1

  公开（公告）日：2021-07-14
• PYRROLIDINE AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE
  申请人：Hoffmann-La Roche Inc.

  公开号：US20210253575A1

  公开（公告）日：2021-08-19

  The present invention relates to compounds of formula (I), wherein R 1 , R 2 , R 3 and R 4 are as described herein, and their pharmaceutically acceptable salt, enantiomer or diastereomer thereof, and compositions including the compounds and methods of using the compounds.