2-(acetylamino)-2-phenylethanesulfonic acid | 31913-88-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(acetylamino)-2-phenylethanesulfonic acid
• 英文别名: 2-Acetamido-2-phenylethanesulfonic acid
• CAS: 31913-88-9
• 化学式: C₁₀H₁₃NO₄S
• 分子量: 243.284
• InChiKey: PDRAEHPKGXNGOS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  91.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(acetylamino)-2-phenylethanesulfonic acid 在 盐酸 作用下， 以 水 为溶剂， 生成 2-氨基-2-苯基乙磺酸
  参考文献：
  名称：

  Amino-Sulfonation of Alkenes in a Three-Component Reaction

  摘要：

  2-Aminoalkanesulfonic acids have been synthesized by a three-component alkene/(SO3DMF)-D-./acetonitrile reaction, followed by hydrolysis, Trifluoromethanesulfonic acid was added to the amino-sulfonation mixture to accelerate the reaction and prevent the competitive formation of by-products. The reported two-step procedure provided a concise and versatile approach to new analogues of the natural amino acid taurine.((C) Wiley-VCH Verlag GmbH, 69451 Weinheim, Germany, 2002).

  DOI：

  10.1002/1099-0690(200204)2002:8<1407::aid-ejoc1407>3.0.co;2-i
• 作为产物：
  描述：

  苯乙烯 、 乙腈 在 三氟甲磺酸 、 三氧化硫 、 水 作用下， 反应 1.0h， 生成 2-(acetylamino)-2-phenylethanesulfonic acid
  参考文献：
  名称：

  Amino-Sulfonation of Alkenes in a Three-Component Reaction

  摘要：

  2-Aminoalkanesulfonic acids have been synthesized by a three-component alkene/(SO3DMF)-D-./acetonitrile reaction, followed by hydrolysis, Trifluoromethanesulfonic acid was added to the amino-sulfonation mixture to accelerate the reaction and prevent the competitive formation of by-products. The reported two-step procedure provided a concise and versatile approach to new analogues of the natural amino acid taurine.((C) Wiley-VCH Verlag GmbH, 69451 Weinheim, Germany, 2002).

  DOI：

  10.1002/1099-0690(200204)2002:8<1407::aid-ejoc1407>3.0.co;2-i

文献信息

• Amino-Sulfonation of Alkenes in a Three-Component Reaction
  作者：Franca M. Cordero、Martina Cacciarini、Fabrizio Machetti、Francesco De Sarlo

  DOI：10.1002/1099-0690(200204)2002:8<1407::aid-ejoc1407>3.0.co;2-i

  日期：2002.4

  2-Aminoalkanesulfonic acids have been synthesized by a three-component alkene/(SO3DMF)-D-./acetonitrile reaction, followed by hydrolysis, Trifluoromethanesulfonic acid was added to the amino-sulfonation mixture to accelerate the reaction and prevent the competitive formation of by-products. The reported two-step procedure provided a concise and versatile approach to new analogues of the natural amino acid taurine.((C) Wiley-VCH Verlag GmbH, 69451 Weinheim, Germany, 2002).