3-(S)-(tert-butoxycarbonylamino)-4-(S)-difluoromethyl-pyrrolidine | 862107-95-7

• 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: 3-(S)-(tert-butoxycarbonylamino)-4-(S)-difluoromethyl-pyrrolidine
• 英文别名: (3S,4S)-3-(tert-butoxycarbonyl)amino-4-difluoromethylpyrrolidine；tert-Butyl ((3S,4S)-4-(difluoromethyl)pyrrolidin-3-yl)carbamate；tert-butyl N-[(3S,4S)-4-(difluoromethyl)pyrrolidin-3-yl]carbamate
• CAS: 862107-95-7
• 化学式: C₁₀H₁₈F₂N₂O₂
• 分子量: 236.262
• InChiKey: SPVLYYWTWMUWDD-NKWVEPMBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  50.4
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-(S)-(tert-butoxycarbonylamino)-4-(S)-difluoromethyl-pyrrolidine 、 6,7-difluoro-1-[(1R,2S)-2-fluoro-1-cyclopropyl]-8-methyl-1,4-dihydro-4-oxoquinoline-3-carboxylic acid difluoroboron complex 在 三乙胺 作用下， 以 环丁砜 、 乙醇 、 水 为溶剂， 反应 288.5h， 生成
  参考文献：
  名称：

  FLUOROALKYLPYRROLIDINE DERIVATIVES

  摘要：

  公开号：

  EP1857453B1

文献信息

• FLUOROALKYLPYRROLIDINE DERIVATIVE
  申请人：Takahasi Hisashi

  公开号：US20090012119A1

  公开（公告）日：2009-01-08

  This invention relates to a compound represented by the following formula (1): [F.1] its salt or a hydrate thereof. R 1 represents hydrogen atom, an optionally substituted alkyl group containing 1 to 6 carbon atoms, a cycloalkyl group containing 3 to 6 carbon atoms, or a substituted carbonyl group derived from an amino acid, a dipeptide, or a tripeptide; R 2 represents hydrogen atom, an optionally substituted alkyl group containing 1 to 6 carbon atoms, or a cycloalkyl group containing 3 to 6 carbon atoms; R 3 represents an alkyl group containing 1 to 6 carbon atoms or a halogen-substituted alkyl group containing 1 to 6 carbon atoms; R 4 represents a cycloalkyl group containing 3 to 6 carbon atoms or a halogen-substituted cycloalkyl group containing 3 to 6 carbon atoms; R 5 represents hydrogen atom, phenyl group, acetoxymethyl group, pivaloyloxymethyl group, ethoxycarbonyl group, choline group, dimethylaminoethyl group, 5-indanyl group, phthalidyl group, 5-alkyl-2-oxo-1,3-dioxol-4-ylmethyl group, 3-acetoxy-2-oxobutyl group, or a phenylalkyl group comprising an alkylene group containing 1 to 6 carbon atoms and phenyl group; X 1 and X 2 independently represent hydrogen atom or a halogen atom; and X represents hydrogen atom or a halogen atom. This compound exhibits broad and strong antibacterial activity to both Gram positive and Gram negative bacteria as well as high safety, and therefore, this compound is useful as a quinolone antibacterial drug, and a prophylactic and/or therapeutic drug for an infectious disease.

  本发明涉及下列公式（1）所表示的化合物，其盐或水合物。R1代表氢原子、含1至6个碳原子的可选择取代的烷基、含3至6个碳原子的环烷基或由氨基酸、二肽或三肽衍生的取代的羰基基团；R2代表氢原子、含1至6个碳原子的可选择取代的烷基或含3至6个碳原子的环烷基；R3代表含1至6个碳原子的烷基或含1至6个碳原子的卤素取代的烷基；R4代表含3至6个碳原子的环烷基或含3至6个碳原子的卤素取代的环烷基；R5代表氢原子、苯基、乙酰氧甲基基团、季铵基、乙酰氧基羰基基团、胆碱基团、二甲氨基乙基基团、5-茚基基团、邻苯二甲酰基团、5-烷基-2-氧代-1,3-二氧杂环戊基甲基基团、3-乙酰氧基-2-氧代丁基基团或包含1至6个碳原子的烷基和苯基的苯基烷基基团；X1和X2分别代表氢原子或卤素原子；X代表氢原子或卤素原子。此化合物表现出广泛且强烈的抗细菌活性，对革兰氏阳性和革兰氏阴性细菌均有效，并且具有高度的安全性，因此，此化合物可用作喹诺酮类抗菌药物以及预防和/或治疗传染病的药物。
• PYRIDOBENZOXAZINE DERIVATIVE
  申请人：DAIICHI PHARMACEUTICAL CO., LTD.

  公开号：EP1712554A1

  公开（公告）日：2006-10-18

  A quinolone antimicrobial agent having potent antimicrobial activity against gram positive and gram negative bacteria and having high safety is provided. A compound represented by the following formula (1): [wherein, R1: hydrogen, alkyl, cycloalkyl, or substituted carbonyl derived from amino acid, peptide or tripeptide; R2: hydrogen, alkyl, or cycloalkyl; R3: hydrogen, amino, halogen, or alkyl; R4: hydrogen, phenyl, acetoxymethyl, pivaloyloxymethyl, ethoxycarbonyl, choline, dimethylaminoethyl, 5-indanyl, phthalidinyl, 5-alkyl-2-oxo-1,3-dioxol-4-ylmethyl, 3-acetoxy-2-oxobutyl, alkyl, alkoxymethyl, or phenylalkyl; X, X1, X2: hydrogen or halogen] or salt thereof, or a hydrate thereof; and antimicrobial agent and therapeutic agent for infections, each containing the compound, salt thereof or a hydrate thereof.

  提供了一种对革兰氏阳性和阴性细菌具有强效抗菌活性且具有高安全性的喹诺酮类抗菌剂。化合物由以下公式（1）表示：[其中，R1：氢，烷基，环烷基或由氨基酸，肽或三肽衍生的取代羰基；R2：氢，烷基或环烷基；R3：氢，氨基，卤素或烷基；R4：氢，苯基，乙酰氧甲基，季戊酰氧甲基，乙氧羰基，胆碱，二甲氨基乙基，5-茚烷基，邻酞酰亚胺基，5-烷基-2-氧代-1,3-二氧杂环戊-4-基甲基，3-乙酰氧基-2-氧代丁基，烷基，烷氧甲基或苯基烷基；X，X1，X2：氢或卤素]或其盐或其水合物；以及包含该化合物、其盐或其水合物的抗菌剂和治疗剂。
• Pyridobenzoxazine derivative
  申请人：Takemura Makoto

  公开号：US20070191356A1

  公开（公告）日：2007-08-16

  A quinolone antimicrobial agent having potent antimicrobial activity against gram positive and gram negative bacteria and having high safety is provided. A compound represented by the following formula (1): [Chemical formula 1] [wherein, R 1 : hydrogen, alkyl, cycloalkyl, or substituted carbonyl derived from amino acid, peptide or tripeptide; R 2 : hydrogen, alkyl, or cycloalkyl; R 3 : hydrogen, amino, halogen, or alkyl; R 4 : hydrogen, phenyl, acetoxymethyl, pivaloyloxymethyl, ethoxycarbonyl, choline, dimethylaminoethyl, 5-indanyl, phthalidinyl, 5-alkyl-2-oxo-1,3-dioxol-4-ylmethyl, 3-acetoxy-2-oxobutyl, alkyl, alkoxymethyl, or phenylalkyl; X, X 1 , X 2 : hydrogen or halogen] or salt thereof, or a hydrate thereof; and antimicrobial agent and therapeutic agent for infections, each containing the compound, salt thereof or a hydrate thereof.
• FLUOROALKYLPYRROLIDINE DERIVATIVES
  申请人：Daiichi Sankyo Company, Limited

  公开号：EP1857453B1

  公开（公告）日：2010-12-29