1-(mercaptomethyl)propylammonium chloride | 4145-99-7

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醇
• 英文名称: 1-(mercaptomethyl)propylammonium chloride
• 英文别名: 2-Aminobutane-1-thiol hydrochloride；2-aminobutane-1-thiol;hydrochloride
• CAS: 4145-99-7
• 化学式: C₄H₁₁NS*ClH
• mdl: MFCD23144003
• 分子量: 141.665
• InChiKey: AKQKZYCNKADSSJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.54
• 重原子数：
  7
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  27
• 氢给体数：
  3
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  聚合甲醛 、 1-(mercaptomethyl)propylammonium chloride 以 乙醇 为溶剂， 反应 24.0h， 生成
  参考文献：
  名称：

  Synthesis of 2,3,4,7-tetrahydro[1,4]thiazepines from thiazolidines and β-enaminonitriles

  摘要：

  A wide library of 2,3,4,7-tetrahydrol 1,4]thiazepines have been prepared by simple heating of thiazolidine and beta-enaminonitrile derivatives in acetonitrile. The procedure, whose yields depend on the nature and position of the Substituents, gave good results if the substituents were not very bulky but it is less effective when starting from 2-substituted thiazolidines. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.02.027
• 作为产物：
  描述：

  4-乙基噻唑烷-2-硫酮 在 盐酸 作用下， 反应 168.0h， 以79%的产率得到1-(mercaptomethyl)propylammonium chloride
  参考文献：
  名称：

  Wu, Shao-Yong; Hirashima, Akinori; Takeya, Ryuko, Agricultural and Biological Chemistry, 1988, vol. 52, # 11, p. 2911 - 2918

  摘要：

  DOI：

文献信息

• Synthese und absolute Konfiguration kettenverzweigter, Cimetidin-analoger Thioether / Synthesis and Absolute Configuration of Chain Branched Cimetidine Analogous Thioethers
  作者：Sigurd Elza、Martin Dräger、Walter Schunack

  DOI：10.1515/znb-1987-0317

  日期：1987.3.1

  Chain branched Cimetidine analogous thioethers, promising building blocks for the preparation of H₂-histaminergic compounds, were synthetized from chiral aminoalkanethiols. Enantiomerically pure amino acids or aminoalcohols were used as starting materials. In one case, a resolution via neutral and acid di-O-(4-toluoyl)tartrates was achieved in good yields and satisfying enantiomeric excess. The absolute configuration of an ethyl branched compound was determined using X-ray diffraction and anomalous dispersion

  链支化的西米替丁类硫醚，是制备H₂-组胺化合物的有前途的构建模块，从手性氨基烷硫醇合成而来。对映体纯氨基酸或氨基醇作为起始原料。在一个案例中，通过中性和酸性二-O-(4-对甲苯基)酒石酸盐的分离，获得了良好的产率和令人满意的对映体过量。通过X射线衍射和异常色散确定了乙基支化化合物的绝对构型。
• One-step synthesis of thiazolo[3,2-a]pyridines by a multicomponent reaction of β-enaminonitriles, α,β-unsaturated aldehydes, and 2-aminothiol hydrochlorides
  作者：Mónica Pérez Perrino、Rafael del Villar-Guerra、M. Carmen Sañudo、Luis A. Calvo、Alfonso González-Ortega

  DOI：10.1016/j.tet.2010.02.051

  日期：2010.4

  A wide library of 3,7,8,8a-tetrahydro-2H-thiazolo[3,2-a]pyridines has been prepared by simple heating in acetonitrile of beta-enaminonitriles, alpha,beta-unsaturated aldehydes and 2-aminothiol hydrochlorides. Chemical yields depend on the nature, hindrance, and position of the substituents. The scope, limitations, and stereocontrol associated to this three-component reaction have been studied in detail. In general, the diastereoinduction observed in the three new stereogenic centers generated in the pro-chiral alpha,beta-unsaturated aldehyde is low. (C) 2010 Elsevier Ltd. All rights reserved.
• WU, SHAO-YONG;HIRASHIMA, AKINORI;TAKEYA, RYUKO;ETO, MORIFUSA, ARG. AND BIOL. CHEM., 52,(1988) N1, C. 2911-2917
  作者：WU, SHAO-YONG、HIRASHIMA, AKINORI、TAKEYA, RYUKO、ETO, MORIFUSA

  DOI：——

  日期：——

表征谱图