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2-bromo-4-cyano-3-hexyloxythiophene | 1276689-09-8

中文名称
——
中文别名
——
英文名称
2-bromo-4-cyano-3-hexyloxythiophene
英文别名
5-Bromo-4-hexoxythiophene-3-carbonitrile;5-bromo-4-hexoxythiophene-3-carbonitrile
2-bromo-4-cyano-3-hexyloxythiophene化学式
CAS
1276689-09-8
化学式
C11H14BrNOS
mdl
——
分子量
288.208
InChiKey
LBUJMFYSJOMTAJ-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):
    4.7
  • 重原子数:
    15
  • 可旋转键数:
    6
  • 环数:
    1.0
  • sp3杂化的碳原子比例:
    0.55
  • 拓扑面积:
    61.3
  • 氢给体数:
    0
  • 氢受体数:
    3

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为反应物:
    描述:
    2-bromo-4-cyano-3-hexyloxythiophene3-hexyloxy-4-cyano-5-(tributylstannyl)thiophene四(三苯基膦)钯 作用下, 以 甲苯 为溶剂, 反应 18.0h, 以55%的产率得到3',4-bis(hexyloxy)-2,2'-bithiophene-3,4'-dicarbonitrile
    参考文献:
    名称:
    Facile Synthesis of 3-Alkoxy-4-cyanothiophenes As New Building Blocks for Donor−Acceptor Conjugated Systems
    摘要:
    3-Alkoxy-4-cyanothiophenes are efficiently synthesized in two steps from the readily available 4-cyano-3-oxotetrahydrothiophene. Regioisomers of bithiophene derivatives are easily synthesized by playing on the strong electronic dissymmetry of the thiophene ring induced by the alkoxy and cyano groups.
    DOI:
    10.1021/ol200296j
  • 作为产物:
    参考文献:
    名称:
    Facile Synthesis of 3-Alkoxy-4-cyanothiophenes As New Building Blocks for Donor−Acceptor Conjugated Systems
    摘要:
    3-Alkoxy-4-cyanothiophenes are efficiently synthesized in two steps from the readily available 4-cyano-3-oxotetrahydrothiophene. Regioisomers of bithiophene derivatives are easily synthesized by playing on the strong electronic dissymmetry of the thiophene ring induced by the alkoxy and cyano groups.
    DOI:
    10.1021/ol200296j
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文献信息

  • Facile Synthesis of 3-Alkoxy-4-cyanothiophenes As New Building Blocks for Donor−Acceptor Conjugated Systems
    作者:Noémie Hergué、Charlotte Mallet、Gurunathan Savitha、Magali Allain、Pierre Frère、Jean Roncali
    DOI:10.1021/ol200296j
    日期:2011.4.1
    3-Alkoxy-4-cyanothiophenes are efficiently synthesized in two steps from the readily available 4-cyano-3-oxotetrahydrothiophene. Regioisomers of bithiophene derivatives are easily synthesized by playing on the strong electronic dissymmetry of the thiophene ring induced by the alkoxy and cyano groups.
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