((3S,4S)-4-Trifluoromethyl-pyrrolidin-3-ylmethyl)-carbamic acid tert-butyl ester | 168544-90-9

• 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: ((3S,4S)-4-Trifluoromethyl-pyrrolidin-3-ylmethyl)-carbamic acid tert-butyl ester
• 英文别名: trans-3-(Tert-butoxycarbonylaminomethyl)-4-trifluoromethylpyrrolidine；tert-butyl N-[[(3S,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]methyl]carbamate
• CAS: 168544-90-9
• 化学式: C₁₁H₁₉F₃N₂O₂
• 分子量: 268.279
• InChiKey: GWYXCNXINAWWBV-JGVFFNPUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  50.4
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  ((3S,4S)-4-Trifluoromethyl-pyrrolidin-3-ylmethyl)-carbamic acid tert-butyl ester 在 盐酸 、 三乙胺 作用下， 以 二甲基亚砜 为溶剂， 生成 7-((3R,4S)-3-Aminomethyl-4-trifluoromethyl-pyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid; hydrochloride
  参考文献：
  名称：

  Synthesis and antibacterial activity of novel 7-(3-substituted-3 or 4-trifluoromethyl-1-pyrrolidinyl)-8-methoxyfluoroquinolones

  摘要：

  The titled compounds were synthesized and evaluated for in vitro antibacterial activity. The (3R,4S)-3-aminomethyl-4-trifluoromethyl derivative (S-34109) was confirmed to be optimal because of its superior activity against quinolone and methicillin-resistant Staphyrococcus aureus and low side effect potential. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00514-9
• 作为产物：
  描述：

  ethyl (+/-)-(3R,4R)-1-benzyl-4-(trifluoromethyl)pyrrolidine-3-carboxylate 在 palladium on activated charcoal sodium hydroxide 、 lithium aluminium tetrahydride 、 氯化亚砜 、 氨 、 氢气 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 为溶剂， 生成 ((3S,4S)-4-Trifluoromethyl-pyrrolidin-3-ylmethyl)-carbamic acid tert-butyl ester
  参考文献：
  名称：

  Synthesis and antibacterial activity of novel 7-(3-substituted-3 or 4-trifluoromethyl-1-pyrrolidinyl)-8-methoxyfluoroquinolones

  摘要：

  The titled compounds were synthesized and evaluated for in vitro antibacterial activity. The (3R,4S)-3-aminomethyl-4-trifluoromethyl derivative (S-34109) was confirmed to be optimal because of its superior activity against quinolone and methicillin-resistant Staphyrococcus aureus and low side effect potential. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00514-9

文献信息

• Cyclic amines
  申请人：Zbinden Groebke Katrin

  公开号：US20060247238A1

  公开（公告）日：2006-11-02

  The invention is concerned with cyclic amines of formula (I) wherein X 1 to X 3 , Y 1 to Y 3 , R 1′ , R 1″ and n are as defined in the description and in the claims, as well as physiologically acceptable salts thereof. These compounds inhibit coagulation factor Xa and can be used as medicaments and for treating diseases associated with coagulation factor Xa.

  这项发明涉及公式(I)中的环氨基化合物，其中X1至X3，Y1至Y3，R1'，R1"和n如描述和索赔中定义的那样，以及其生理上可接受的盐。这些化合物抑制凝血因子Xa，并可用作药物治疗与凝血因子Xa相关的疾病。
• [EN] 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS<br/>[FR] AGENTS ANTIBACTERIENS CONTENANT 3-AMINOQUINAZOLIN-2,4-DIONE
  申请人：WARNER LAMBERT CO

  公开号：WO2001053273A1

  公开（公告）日：2001-07-26

  Antibacterial 3-aminoquinazolin-2,4-diones have formula (I) wherein: R1 and R3 include alkyl, alkenyl, alkynyl, cycloalkyl, aryl, heterocyclic, and heteroaryl; R5, R6, and R8 include H, alkyl, alkoxy, halo, NO2, CN, NH2, alkyl and dialkylamino; R7 includes hydrogen, alkyl, cycloalkyl, heterocyclic, fused heterocyclic, aryl and fused aryl; J and K are C or N; and pharmaceutically acceptable salts thereof.

  具有式(I)的抗菌3-氨基喹唑啉-2,4-二酮，其中：R1和R3包括烷基，烯基，炔基，环烷基，芳基，杂环基和杂芳基；R5，R6和R8包括H，烷基，烷氧基，卤素，NO2，CN，NH2，烷基和二烷基氨基；R7包括氢，烷基，环烷基，杂环基，融合的杂环基，芳基和融合的芳基；J和K是C或N；以及其药学上可接受的盐。
• 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.

  通式（I）所代表的喹啉羧酸衍生物，其中R.sub.1是C.sub.1至C.sub.6烷基基团，可以是取代基；C.sub.2至C.sub.6烯基基团，可以是取代基；C.sub.3至C.sub.7环烷基团，可以是取代基；或芳基基团，可以是取代基。R.sub.2是氢原子；卤素原子；羟基，可以是保护基；氨基或C.sub.1至C.sub.6烷基氨基，每个可以是保护基；C.sub.1至C.sub.6二烷基氨基基团或C.sub.1至C.sub.6烷基基团，R.sub.3是氢原子或C.sub.1至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；C.sub.1至C.sub.6烷基基团；可以被取代的C.sub.1至C.sub.6烷氧基基团；氰基或硝基，A'可以与R.sub.1形成环；环可以包括氧原子、氮原子或硫原子作为组成原子；环可以被C.sub.1至C.sub.6烷基基团取代，X是羟甲基基团；氨甲基基团或氨基，每个可以是保护基，以及作为活性成分的喹啉羧酸衍生物及其盐的抗菌剂，以及其治疗方法。
• 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS
  申请人：Bird Paul

  公开号：US20060183762A1

  公开（公告）日：2006-08-17

  Antibacterial 3-aminoquinazolin-2,4-diones have formula (I) wherein: R 1 and R 3 include alkyl, alkenyl, alkynyl, cycloalkyl, aryl, heterocyclic, and heteroaryl; R 5 , R 6 , and R 8 include H, alkyl, alkoxy, halo, NO 2 , CN, NH 2 , alkyl and dialkylamino; R 7 includes hydrogen, alkyl, cycloalkyl, heterocyclic, fused heterocyclic, aryl and fused aryl; J and K are C or N; and pharmaceutically acceptable salts thereof.

  抗菌3-氨基喹唑啉-2,4-二酮具有以下化学式（I）：其中：R1和R3包括烷基，烯基，炔基，环烷基，芳基，杂环基和杂芳基；R5，R6和R8包括H，烷基，烷氧基，卤素，NO2，CN，NH2，烷基和二烷基氨基；R7包括氢，烷基，环烷基，杂环基，融合的杂环基，芳基和融合的芳基；J和K为C或N；以及其药学上可接受的盐。
• 3-Aminoquinazolin-2,4-dione antibacterial agents
  申请人：Bird Paul

  公开号：US20060287308A1

  公开（公告）日：2006-12-21

  Antibacterial 3-aminoquinazolin-2,4-diones have formula (1) wherein: R 1 and R 3 include alkyl, alkenyl, alkynyl, cycloalkyl, aryl, heterocyclic, and heteroaryl; R 5 , R 6 , and R 8 include H, alkyl, alkoxy, halo, NO 2 , CN, NH 2 , alkyl and dialkylamino; R 7 includes hydrogen, alkyl, cycloalkyl, heterocyclic, fused heterocyclic, aryl and fused aryl; J and K are C or N; and pharmaceutically acceptable salts thereof.

  抗菌的3-氨基喹唑啉-2,4-二酮具有式（1），其中：R1和R3包括烷基，烯基，炔基，环烷基，芳香基，杂环基和杂芳基；R5，R6和R8包括H，烷基，烷氧基，卤素，NO2，CN，NH2，烷基和二烷基氨基；R7包括氢，烷基，环烷基，杂环基，融合杂环基，芳香基和融合芳香基；J和K是C或N；以及其药学上可接受的盐。