Chloro-methylsulfanyl-acetic acid p-tolyl ester | 221021-10-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: Chloro-methylsulfanyl-acetic acid p-tolyl ester
• 英文别名: (4-Methylphenyl) 2-chloro-2-methylsulfanylacetate；(4-methylphenyl) 2-chloro-2-methylsulfanylacetate
• CAS: 221021-10-9
• 化学式: C₁₀H₁₁ClO₂S
• 分子量: 230.715
• InChiKey: NBIAKWUKNZXPKY-UHFFFAOYSA-N

物化性质

• 沸点：
  299.0±30.0 °C(Predicted)
• 密度：
  1.243±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  14
• 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：
  51.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Chloro-methylsulfanyl-acetic acid p-tolyl ester 在 N-氯代丁二酰亚胺 、 四氯化锡 作用下， 以 二氯甲烷 、 氯苯 为溶剂， 生成 3-Chloro-3-(2-methoxy-5-methyl-phenyl)-5-methyl-3H-benzofuran-2-one
  参考文献：
  名称：

  Some reactions of persistent benzofuranone radicals related to the ‘old’ diazonamide structure

  摘要：

  The benzofuranone dimers 9 and 10/11 readily (ca. 75 degreesC) dissociate to the persistent radicals 16 and 17 respectively, which are stable to, dioxygen. The OMe analog 25 dissociates to form the radical 24, which reacts with dioxygen of TEMPO to give 26. (C) 2004 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2004.11.103
• 作为产物：
  描述：

  (4-Methylphenyl) 2-methylsulfanylacetate 在 N-氯代丁二酰亚胺 作用下， 以 四氯化碳 为溶剂， 反应 1.5h， 生成 Chloro-methylsulfanyl-acetic acid p-tolyl ester
  参考文献：
  名称：

  Synthesis of benzofuranones related to diazonamide via an intramolecular Pummerer reaction

  摘要：

  Treatment of in situ generated 2-thiolaethyl-2-chloro-2-phenylacetyl aryl esters with SnCl4 (catalytic) resulted in the formation of the corresponding 3-thiomethylbenzofuran-2-ones. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)02386-7

文献信息

• Synthesis of benzofuranones related to diazonamide via an intramolecular Pummerer reaction
  作者：Philip Magnus、Jennifer D. Kreisberg

  DOI：10.1016/s0040-4039(98)02386-7

  日期：1999.1

  Treatment of in situ generated 2-thiolaethyl-2-chloro-2-phenylacetyl aryl esters with SnCl4 (catalytic) resulted in the formation of the corresponding 3-thiomethylbenzofuran-2-ones. (C) 1998 Elsevier Science Ltd. All rights reserved.
• Some reactions of persistent benzofuranone radicals related to the ‘old’ diazonamide structure
  作者：Philip Magnus、Jennifer D. Venable (nee Kreisberg)、Lan Shen、Vince Lynch

  DOI：10.1016/j.tetlet.2004.11.103

  日期：2005.1

  The benzofuranone dimers 9 and 10/11 readily (ca. 75 degreesC) dissociate to the persistent radicals 16 and 17 respectively, which are stable to, dioxygen. The OMe analog 25 dissociates to form the radical 24, which reacts with dioxygen of TEMPO to give 26. (C) 2004 Published by Elsevier Ltd.