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3-氯-1-辛烯基-1,1-双硫代苯 | 198982-71-7

中文名称
3-氯-1-辛烯基-1,1-双硫代苯
中文别名
——
英文名称
3-chloro-1-octenyl-1,1-bis thiobenzene
英文别名
(3-Chloro-1-phenylsulfanyloct-1-enyl)sulfanylbenzene
3-氯-1-辛烯基-1,1-双硫代苯化学式
CAS
198982-71-7
化学式
C20H23ClS2
mdl
——
分子量
362.988
InChiKey
WEIQUXKXJXTBDK-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    7.8
  • 重原子数:
    23
  • 可旋转键数:
    9
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.3
  • 拓扑面积:
    50.6
  • 氢给体数:
    0
  • 氢受体数:
    2

反应信息

  • 作为反应物:
    描述:
    甲醇3-氯-1-辛烯基-1,1-双硫代苯 作用下, 以 甲醇 为溶剂, 反应 2.0h, 以57%的产率得到2-辛烯酸甲酯
    参考文献:
    名称:
    Synthesis of α,β-Unsaturated Aldehydes and Methyl Carboxylic Esters from 2-Acetylenic Phenyl Sulfides.
    摘要:
    2-Alkynylthio benzenes were reduced to 2-Alkenylthio benzenes with diisobutyl aluminum hydride. Mono chlorination of these compounds with sulfuryl chloride and pyridine followed by hydrolysis, in the presence of Cu-II salts, gave alpha,beta-unsaturated aldehydes.2-Alkynylthio benzenes were converted into 2-Alkynyl 1,1-bis thiobenzenes by monochlorination with sulfuryl chloride and pyridine followed by treatment with thiophenol and triethylamine. These substances were then converted to alpha,beta-unsaturated methyl carboxylic esters by way of isomerization with sodium methoxide to the corresponding allene and treatment with hydrochloric acid and methanolysis in the presence of iodine.
    DOI:
    10.1080/00397919708005915
  • 作为产物:
    描述:
    (1-Chloro-oct-2-ynylsulfanyl)-benzene盐酸sodium methylate三乙胺 作用下, 以 四氢呋喃甲醇 为溶剂, 反应 9.0h, 生成 3-氯-1-辛烯基-1,1-双硫代苯
    参考文献:
    名称:
    Synthesis of α,β-Unsaturated Aldehydes and Methyl Carboxylic Esters from 2-Acetylenic Phenyl Sulfides.
    摘要:
    2-Alkynylthio benzenes were reduced to 2-Alkenylthio benzenes with diisobutyl aluminum hydride. Mono chlorination of these compounds with sulfuryl chloride and pyridine followed by hydrolysis, in the presence of Cu-II salts, gave alpha,beta-unsaturated aldehydes.2-Alkynylthio benzenes were converted into 2-Alkynyl 1,1-bis thiobenzenes by monochlorination with sulfuryl chloride and pyridine followed by treatment with thiophenol and triethylamine. These substances were then converted to alpha,beta-unsaturated methyl carboxylic esters by way of isomerization with sodium methoxide to the corresponding allene and treatment with hydrochloric acid and methanolysis in the presence of iodine.
    DOI:
    10.1080/00397919708005915
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文献信息

  • Synthesis of α,β-Unsaturated Aldehydes and Methyl Carboxylic Esters from 2-Acetylenic Phenyl Sulfides.
    作者:Fortes, Carlos C.、Garrote, Clevia F. D.
    DOI:10.1080/00397919708005915
    日期:1997.11
    2-Alkynylthio benzenes were reduced to 2-Alkenylthio benzenes with diisobutyl aluminum hydride. Mono chlorination of these compounds with sulfuryl chloride and pyridine followed by hydrolysis, in the presence of Cu-II salts, gave alpha,beta-unsaturated aldehydes.2-Alkynylthio benzenes were converted into 2-Alkynyl 1,1-bis thiobenzenes by monochlorination with sulfuryl chloride and pyridine followed by treatment with thiophenol and triethylamine. These substances were then converted to alpha,beta-unsaturated methyl carboxylic esters by way of isomerization with sodium methoxide to the corresponding allene and treatment with hydrochloric acid and methanolysis in the presence of iodine.
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