2-硝基-丁烷-1-磺酸 | 745717-45-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 中文名称: 2-硝基-丁烷-1-磺酸
• 英文名称: 2-nitro-butane-1-sulfonic acid
• 英文别名: 2-Nitro-butan-1-sulfonsaeure；2-Nitrobutane-1-sulfonic acid
• CAS: 745717-45-7
• 化学式: C₄H₉NO₅S
• 分子量: 183.185
• InChiKey: UPJUQZAOTUYIMG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  109
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-硝基-丁烷-1-磺酸 在 水 、 镍 作用下， 生成 2-氨基丁烷-1-磺酸
  参考文献：
  名称：

  The Chemistry of Aliphatic Nitrosulfonates. III. Halogenated Nitrosulfonates

  摘要：

  DOI：

  10.1021/jo50004a001
• 作为产物：
  描述：

  2-硝基丁-1-烯 在 水 、 sodium hydrogensulfite 作用下， 生成 2-硝基-丁烷-1-磺酸
  参考文献：
  名称：

  Method of making beta-amino sulfonic compounds

  摘要：

  公开号：

  US02510281A1

文献信息

• Facile synthesis of various substituted taurines, especially syn- and anti-1,2-disubstituted taurines, from nitroolefins
  作者：Ning Chen、Jiaxi Xu

  DOI：10.1016/j.tet.2012.01.031

  日期：2012.3

  Taurine and substituted taurines present a group of important structural elements in many natural products. Various substituted taurines, including 1- and 2-substituted, 1,1-, syn-1,2-, and anti-1,2-disubstituted taurines, were synthesized from the corresponding nitroolefins via Michael addition with thioacetic acid, oxidation with peroxyformic acid, and the catalytic hydrogenation under the catalysis of palladium on carbon or platinum dioxide. It is a general, versatile, and salt-free method for the preparation of substituted taurines, especially for syn- and anti-1,2-disubstituted taurines and some taurines with more bulky substituents. The stereostructures of both syn- and anti-1,2-disubstituted taurines were deduced from the nitroalkyl thioacetates in the Michael addition, which were identified via the Karplus equation analysis and computational analysis, and finally confirmed by the XRD single crystal analysis. The diastereoselectivity in the Michael addition was rationalized with the Cram rule. (C) 2012 Elsevier Ltd. All rights reserved.
• Nitro sulfonates from beta-nitro alkanols
  申请人：VISKING CORP

  公开号：US02477869A1

  公开（公告）日：1949-08-02
• Beta-nitro sulfonic compounds and method of making same
  申请人：VISKING CORP

  公开号：US02510282A1

  公开（公告）日：1950-06-06
• Method of preparing nitroalkane sulfonates
  申请人：VISKING CORP

  公开号：US02477870A1

  公开（公告）日：1949-08-02
• The Chemistry of Aliphatic Nitrosulfonates. III. Halogenated Nitrosulfonates
  作者：Marvin H. Gold、Harold H. Levine、Percy B. Polen

  DOI：10.1021/jo50004a001

  日期：1951.10