thiooxalic acid-chloride S-p-tolyl ester | 412299-02-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯硫酚酯
• 英文名称: thiooxalic acid-chloride S-p-tolyl ester
• 英文别名: Thiooxalsaeure-chlorid-S-p-tolylester；S-(4-methylphenyl) chloro(oxo)ethanethioate；S-(4-methylphenyl) 2-chloro-2-oxoethanethioate
• CAS: 412299-02-6
• 化学式: C₉H₇ClO₂S
• 分子量: 214.672
• InChiKey: CYXKATXLYMCPLI-UHFFFAOYSA-N

物化性质

• 沸点：
  335.3±35.0 °C(Predicted)
• 密度：
  1.35±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  59.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  thiooxalic acid-chloride S-p-tolyl ester 在 二硫化碳 、 三氯化铝 作用下， 生成 5-methyl-benzo[b]thiophene-2,3-dione
  参考文献：
  名称：

  DE291759

  摘要：

  公开号：
• 作为产物：
  描述：

  草酰氯 、 4-甲苯硫酚 生成 thiooxalic acid-chloride S-p-tolyl ester
  参考文献：
  名称：

  Degradation of the petroleum components monomethylbenzothiophenes on exposure to light

  摘要：

  The photochemical degradation of monomethylated benzo[b]thiophenes in aqueous solution was studied to elucidate the fate of crude oil components after an oil spill. One principal. reaction pathway involves oxidation of the methyl group(s) to the carboxylic acids via aldehydes, Another pathway leads via oxidation of the thiophene ring to the quinone and then, after ring opening, to 2-sulfobenzoic acids as the ultimate products for all compounds. Opening of the benzo ring is also seen in which ease thiophene aldehydes or ketones are formed. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0045-6535(97)10219-3

文献信息

• DE291759
  申请人：——

  公开号：——

  公开（公告）日：——
• Stolle, Chemische Berichte, 1914, vol. 47, p. 1131
  作者：Stolle

  DOI：——

  日期：——
• Degradation of the petroleum components monomethylbenzothiophenes on exposure to light
  作者：Stefan Bobinger、Jan T. Andersson

  DOI：10.1016/s0045-6535(97)10219-3

  日期：1998.5

  The photochemical degradation of monomethylated benzo[b]thiophenes in aqueous solution was studied to elucidate the fate of crude oil components after an oil spill. One principal. reaction pathway involves oxidation of the methyl group(s) to the carboxylic acids via aldehydes, Another pathway leads via oxidation of the thiophene ring to the quinone and then, after ring opening, to 2-sulfobenzoic acids as the ultimate products for all compounds. Opening of the benzo ring is also seen in which ease thiophene aldehydes or ketones are formed. (C) 1998 Elsevier Science Ltd. All rights reserved.