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1-methyl-2,3-nonadienyl acetate | 386278-52-0

中文名称
——
中文别名
——
英文名称
1-methyl-2,3-nonadienyl acetate
英文别名
——
1-methyl-2,3-nonadienyl acetate化学式
CAS
386278-52-0
化学式
C12H20O2
mdl
——
分子量
196.29
InChiKey
DOGMAYQKYNMKDJ-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

物化性质

  • 沸点:
    258.4±10.0 °C(Predicted)
  • 密度:
    0.881±0.06 g/cm3(Predicted)

计算性质

  • 辛醇/水分配系数(LogP):
    3.1
  • 重原子数:
    14
  • 可旋转键数:
    7
  • 环数:
    0.0
  • sp3杂化的碳原子比例:
    0.67
  • 拓扑面积:
    26.3
  • 氢给体数:
    0
  • 氢受体数:
    2

反应信息

  • 作为反应物:
    描述:
    1-methyl-2,3-nonadienyl acetate 在 palladium diacetate 、 lithium bromide 作用下, 以 溶剂黄146丙酮 为溶剂, 反应 25.0h, 以84%的产率得到(2E,4Z)-4-bromo-2,4-decadiene
    参考文献:
    名称:
    Palladium(II)-Catalyzed SN2‘ Reactions of α-Allenic Acetates. Stereoconvergent Synthesis of (Z,E)-2-Bromo-1,3-dienes
    摘要:
    The reaction of acetylated a-allenic alcohols with LiBr in the presence of 1.5 mol % of Pd(OAc)(2) provides easy access to substituted (Z,E)-2-bromo-1,3-dienes in good yields with excellent diastereoselectivity. Both secondary and tertiary acetates as well as terminal and nonterminal allenes were studied to investigate the scope and the limitations of the reaction. A mechanism is proposed to clarify how a diastereomeric mixture of the starting compound is transformed into a single diastereomer of the product.
    DOI:
    10.1021/jo015950x
  • 作为产物:
    描述:
    3-tetrahydropyranyloxyoct-1-yne吡啶 、 lithium aluminium tetrahydride 、 正丁基锂 作用下, 以 四氢呋喃乙醚正己烷 为溶剂, 反应 9.5h, 生成 1-methyl-2,3-nonadienyl acetate
    参考文献:
    名称:
    Palladium(II)-Catalyzed SN2‘ Reactions of α-Allenic Acetates. Stereoconvergent Synthesis of (Z,E)-2-Bromo-1,3-dienes
    摘要:
    The reaction of acetylated a-allenic alcohols with LiBr in the presence of 1.5 mol % of Pd(OAc)(2) provides easy access to substituted (Z,E)-2-bromo-1,3-dienes in good yields with excellent diastereoselectivity. Both secondary and tertiary acetates as well as terminal and nonterminal allenes were studied to investigate the scope and the limitations of the reaction. A mechanism is proposed to clarify how a diastereomeric mixture of the starting compound is transformed into a single diastereomer of the product.
    DOI:
    10.1021/jo015950x
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文献信息

  • Palladium(II)-Catalyzed S<sub>N</sub>2‘ Reactions of α-Allenic Acetates. Stereoconvergent Synthesis of (<i>Z</i>,<i>E</i>)-2-Bromo-1,3-dienes
    作者:Attila Horváth、Jan-E. Bäckvall
    DOI:10.1021/jo015950x
    日期:2001.11.1
    The reaction of acetylated a-allenic alcohols with LiBr in the presence of 1.5 mol % of Pd(OAc)(2) provides easy access to substituted (Z,E)-2-bromo-1,3-dienes in good yields with excellent diastereoselectivity. Both secondary and tertiary acetates as well as terminal and nonterminal allenes were studied to investigate the scope and the limitations of the reaction. A mechanism is proposed to clarify how a diastereomeric mixture of the starting compound is transformed into a single diastereomer of the product.
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