Octane-1-sulfonyl fluoride;hydrofluoride | 90411-87-3

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 磺酰卤
• 英文名称: Octane-1-sulfonyl fluoride;hydrofluoride
• 英文别名: octane-1-sulfonyl fluoride;hydrofluoride
• CAS: 90411-87-3
• 化学式: C8H18F2O2S
• 分子量: 216.29
• InChiKey: JZCRXORAIFTUIO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  13
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  42.5
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• Process for Producing 3,4-Disubstituted Pyrrolidine Derivative and Production Intermediate Thereof
  申请人：Gotoh Takayuki

  公开号：US20090023935A1

  公开（公告）日：2009-01-22

  An industrially advantageous process for the production of (3R,4S)-3-cyclopropylaminomethyl-4-fluoropyrrolidine or an enantiomer thereof that is useful as an intermediate for the production of novel antimicrobial agents 10-(3-cyclopropylaminomethyl-4-fluoropyrrolidinyl)pyridobenzoxazine carboxylic acid derivatives. Highly stereoselective asymmetric hydrogenation of 1-protected-4-alkoxycarbonyl-3-oxopyrrolidine, followed by ester hydrolysis, followed by amidation with cyclopropylamine gives crude crystals. The crude crystals are purified by recrystallization to give a novel compound (3R,4S)-1-protected-3-cyclopropylcarbamoyl-4-hydroxypyrrolidine or an enantiomer thereof at high optical purity. The use of these intermediates enables industrial production of high-quality products of (3R,4S)-3-cyclopropylaminomethyl-4-fluoropyrrolidine or an enantiomer thereof. The process is highly simple and can produce the desired products at high purity and stable yields.

  这是一种工业上优越的过程，用于生产(3R,4S)-3-环丙氨基甲基-4-氟吡咯烷或其对映体，该对映体可用作新型抗微生物剂10-(3-环丙氨基甲基-4-氟吡咯烷基)吡啶并苯并噁嗪羧酸衍生物的中间体。高度立体选择性的不对称氢化1-保护的4-烷氧羰基-3-氧代吡咯烷，随后进行酯水解，然后与环丙氨基酰胺反应，得到粗晶体。通过重结晶纯化粗晶体，得到一种新化合物(3R,4S)-1-保护的3-环丙氨基甲酰基-4-羟基吡咯烷或其对映体，其光学纯度高。使用这些中间体能够工业化生产高质量的(3R,4S)-3-环丙氨基甲基-4-氟吡咯烷或其对映体。该过程非常简单，能够以高纯度和稳定的产率生产所需的产品。
• 7-(4-Substituted-3-cyclopropylaminomethyl-1 pyrrolidinyl) quinolonecarboxylic acid derivative
  申请人：Asahina Yoshikazu

  公开号：US20060281779A1

  公开（公告）日：2006-12-14

  OBJECT To provide novel quinolonecarboxylic acid compounds serving as safe, strong antibacterial agents that are effective against drug-resistant bacteria that are less susceptible to conventional antibacterial agents. SOLVING MEANS There are provided 7-(4-substituted-3-cyclopropylaminomethylpyrrolidinyl)quinolonecarboxylic acid derivatives (such as 1-cyclopropyl-7-[(3S,4S)-3-cyclopropylaminomethyl-4-fluoro-1-pyrrolidinyl]-6-fluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid) that exhibit strong antibacterial activity against gram-positive bacteria, such as MRSA, PRSP and VRE, while being safe. The compounds are shown by the following general formula (I):

  目的：提供新型喹诺酮羧酸化合物，作为安全、强效的抗菌剂，对耐药菌有良好的抗菌效果，而且对传统抗菌剂的抗性较低。 解决方法：提供7-(4-取代的3-环丙氨甲基吡咯烷基)喹诺酮羧酸衍生物（例如1-环丙基-7-[(3S,4S)-3-环丙氨甲基-4-氟-1-吡咯烷基]-6-氟-1,4-二氢-8-甲氧基-4-氧代-3-喹啉羧酸），对革兰氏阳性菌（如MRSA、PRSP和VRE）表现出强效的抗菌活性，同时具有安全性。这些化合物的通用式如下（I）：
• Process for producing 3,4-disubstituted pyrrolidine derivative and production intermediate thereof
  申请人：Gotoh Takayuki

  公开号：US20100056805A1

  公开（公告）日：2010-03-04

  An industrially advantageous process for the production of (3R,4S)-3-cyclopropylaminomethyl-4-fluoropyrrolidine or an enantiomer thereof that is useful as an intermediate for the production of novel antimicrobial agents 10-(3-cyclopropylaminomethyl-4-fluoropyrrolidinyl)pyridobenzoxazine carboxylic acid derivatives. Highly stereoselective asymmetric hydrogenation of 1-protected-4-alkoxycarbonyl-3-oxopyrrolidine, followed by ester hydrolysis, followed by amidation with cyclopropylamine gives crude crystals. The crude crystals are purified by recrystallization to give a novel compound (3R,4S)- 1 -protected-3-cyclopropylcarbamoyl-4-hydroxypyrrolidine or an enantiomer thereof at high optical purity. The use of these intermediates enables industrial production of high-quality products of (3R,4S)-3-cyclopropylaminomethyl-4-fluoropyrrolidine or an enantiomer thereof. The process is highly simple and can produce the desired products at high purity and stable yields.

  这是一种工业上有利的生产过程，用于生产（3R,4S）-3-环丙氨基甲基-4-氟吡咯烷或其对映体，该对映体可用作新型抗微生物剂10-（3-环丙氨基甲基-4-氟吡咯烷基）吡啶苯并噁唑羧酸衍生物的中间体。高度立体选择性的不对称氢化1-保护-4-烷氧羰基-3-酮吡咯烷，随后进行酯水解，然后与环丙胺酰胺化，得到粗晶体。通过重结晶纯化粗晶体，得到一种新化合物（3R,4S）-1-保护-3-环丙氨基甲酰基-4-羟基吡咯烷或其对映体，光学纯度高。使用这些中间体可以工业化生产高质量的（3R,4S）-3-环丙氨基甲基-4-氟吡咯烷或其对映体产品。该过程非常简单，可以高纯度和稳定产量地生产所需的产品。
• 7- (4-substituted-3-cyclopropylaminomethyl-1-pyrrolidinyl) quinolonecarboxylic acid derivative technical field
  申请人：Asahina Yoshikazu

  公开号：US20090176824A1

  公开（公告）日：2009-07-09

  Object To provide novel quinolonecarboxylic acid compounds serving as safe, strong antibacterial agents that are effective against drug-resistant bacteria that are less susceptible to conventional antibacterial agents. Solving Means There are provided 7-(4-substituted-3-cyclopropylaminomethylpyrrolidinyl)quinolonecarboxylic acid derivatives (such as 1-cyclopropyl-7-[(3S,4S)-3-cyclopropylaminomethyl-4-fluoro-1-pyrrolidinyl]-6-fluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid) that exhibit strong antibacterial activity against gram-positive bacteria, such as MRSA, PRSP and VRE, while being safe. The compounds are shown by the following general formula (I):

  目标 提供新型喹诺酸类化合物，作为安全、强效的抗菌剂，对耐药菌有良好的抗菌效果，对传统抗菌剂不敏感。 解决方法 提供7-(4-取代-3-环丙氨甲基吡咯烷基)喹诺酸衍生物（如1-环丙基-7-[(3S,4S)-3-环丙氨甲基-4-氟-1-吡咯烷基]-6-氟-1,4-二氢-8-甲氧基-4-氧代-3-喹啉羧酸），对革兰阳性菌有强效的抗菌活性，如MRSA、PRSP和VRE，同时具有安全性。这些化合物的一般式如下（I）：
• PROCESS FOR PRODUCTION OF 3,4-DISUBSTITUTED PYRROLIDINE DERIVATIVE AND INTERMEDIATE FOR THE PRODUCTION
  申请人：Kyorin Pharmaceutical Co., Ltd.

  公开号：EP1992613B1

  公开（公告）日：2013-01-30