1-chloro-3-i-propylsulfonylpropane | 128147-27-3

• 分子结构分类: 有机化合物 - 有机硫化合物 - 磺酰类
• 英文名称: 1-chloro-3-i-propylsulfonylpropane
• 英文别名: 3-chloropropyl isopropyl sulfone；3-chloropropyl 1-methylethyl sulfone；1-Chloro-3-(propane-2-sulfonyl)propane；1-chloro-3-propan-2-ylsulfonylpropane
• CAS: 128147-27-3
• 化学式: C₆H₁₃ClO₂S
• mdl: MFCD11935041
• 分子量: 184.687
• InChiKey: YDZXLBAMTMNQMM-UHFFFAOYSA-N

物化性质

• 沸点：
  310.5±25.0 °C(Predicted)
• 密度：
  1.151±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  10
• 可旋转键数：
  4
• 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：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-chloro-3-i-propylsulfonylpropane 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 以95%的产率得到cyclopropyl isopropyl sulphone
  参考文献：
  名称：

  Organic sulfur mechanisms. 36. Cyclopropanesulfonyl chloride: its mechanisms of hydrolysis and reactions with tertiary amines in organic media

  摘要：

  Cyclopropanesulfonyl chloride (1) has been synthesized and its reactions examined to see if the three-membered ring leads to unusual reactions in either 1 or the corresponding sulfene, cyclopropanethione S,S-dioxide (2). pH-rate profiles, primary kinetic isotope effects (KIE's), and pH-product ratio experiments are in full agreement with mechanisms of hydrolysis of 1 like those of a simple alkanesulfonyl chlorides (J. Am. Chem. Soc. 1992,114,1743-1749), specifically, (a) below pH 7.2 by S(N)2-S reaction with water and (b) above pH 7.3, elimination by hydroxide to form the sulfene (2) which is trapped by (i) water below pH 12.0 and (ii) hydroxide above pH 12.0. The products of the reaction of cyclopropanesulfonyl-1-d chloride (9) with triethylamine and 2-propanol in dichloromethane indicate that most of the reaction goes via 2; the analogous reaction with trimethylamine apparently proceeds by a direct formation of the sulfonylammonium chloride (14) which then yields the alpha-deuterated N,N-dimethyl sulfonamide (12, R = Me). The evident sulfene formation processes in the reaction of triethylamine with ethanesulfonyl, 2-propanesulfonyl, and cyclopropanesulfonyl chlorides show very low primary KIE's (<1.5), pointing to highly product-like transition states. Reaction of 1 with an enamine (1-pyrrolidino-2-methylpropene, 20) in the presence of a base in either water or dichloromethane gave cyclopropanesulfonpyrrolidide (23) and an aldehyde adduct (24), but no four-membered cycloadduct (21).

  DOI：

  10.1021/jo00057a027
• 作为产物：
  描述：

  1-chloro-3-i-propylsulfinylpropane 在 2,6-二叔丁基吡啶 、 tert-butylammonium hexafluorophosphate(V) 作用下， 以 水 、 乙腈 为溶剂， 以80%的产率得到1-chloro-3-i-propylsulfonylpropane
  参考文献：
  名称：

  Aced, Ahmed; Anklam, Elke; Asmus, Klaus-Dieter, Phosphorus, Sulfur and Silicon and the Related Elements, 1990, vol. 48, # 1-4, p. 53 - 62

  摘要：

  DOI：

文献信息

• Compounds
  申请人：Gore Paul Martin

  公开号：US20090270355A1

  公开（公告）日：2009-10-29

  The present invention relates to a compound which is N-(4-4-[(6-butyl-8-quinolinyl)oxy]-1-piperidinyl}butyl)ethanesulfonamide and salts thereof, processes for its preparation, to compositions containing it and to its use in the treatment of various diseases, such as allergic rhinitis.

  本发明涉及一种化合物，即N-(4-4-[(6-丁基-8-喹啉基)氧基]-1-哌啶基}丁基)乙烷磺酰胺及其盐，以及其制备方法、含有该化合物的组合物，以及在治疗各种疾病（如过敏性鼻炎）中的用途。
• SUBSTITUTED QUINOLINE DERIVATIVES AS H1 RECEPTOR ANTAGONISTS
  申请人：Gore Paul Martin

  公开号：US20110281909A1

  公开（公告）日：2011-11-17

  The present invention relates to compounds of formula (I), and salts thereof, processes for their preparation, to compositions containing them and to their use in the treatment of various diseases, such as allergic rhinitis.

  本发明涉及公式（I）的化合物及其盐，其制备方法，含有它们的组合物以及它们在治疗各种疾病（如过敏性鼻炎）中的应用。
• US7884114B2
  申请人：——

  公开号：US7884114B2

  公开（公告）日：2011-02-08
• [EN] COMPOUNDS<br/>[FR] COMPOSÉS
  申请人：GLAXO GROUP LTD

  公开号：WO2009021965A2

  公开（公告）日：2009-02-19

  The present invention relates to compounds of formula (I), and salts thereof, processes for their preparation, to compositions containing them and to their use in the treatment of various diseases, such as allergic rhinitis.
• Aced, Ahmed; Anklam, Elke; Asmus, Klaus-Dieter, Phosphorus, Sulfur and Silicon and the Related Elements, 1990, vol. 48, # 1-4, p. 53 - 62
  作者：Aced, Ahmed、Anklam, Elke、Asmus, Klaus-Dieter、Pohl, Klaus、Glass, Richard S.、et al.

  DOI：——

  日期：——