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9-[2-[(2S)-2-hydroxypropyl]-1,3-dithian-2-yl]nonanoic acid | 206124-18-7

中文名称
——
中文别名
——
英文名称
9-[2-[(2S)-2-hydroxypropyl]-1,3-dithian-2-yl]nonanoic acid
英文别名
——
9-[2-[(2S)-2-hydroxypropyl]-1,3-dithian-2-yl]nonanoic acid化学式
CAS
206124-18-7
化学式
C16H30O3S2
mdl
——
分子量
334.544
InChiKey
BSFOIDCBXYZCHZ-AWEZNQCLSA-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):
    4.5
  • 重原子数:
    21
  • 可旋转键数:
    11
  • 环数:
    1.0
  • sp3杂化的碳原子比例:
    0.94
  • 拓扑面积:
    108
  • 氢给体数:
    2
  • 氢受体数:
    5

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
  • 下游产品
    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:
    9-[2-[(2S)-2-hydroxypropyl]-1,3-dithian-2-yl]nonanoic acid 在 W-2 Raney Ni silver perchlorate 、 三苯基膦 作用下, 以 乙醇甲苯乙腈 为溶剂, 生成 (S)-12-methyldodecalactone
    参考文献:
    名称:
    Synthesis of Both Enantiomers of Four Different Macrocyclic Lactones
    摘要:
    Both enantiomers of macrocyclic lactones, 12-tridecanolide (1), 13-tetradecanolide (2), 14-pentadecanolide (3) and 15-hexadecanolide (4), were synthesized utilizing (S)-(-)-beta-hydroxythioacetal (5) as the chiral building block. Key steps are the C-alkylation of a dianion derived from 5 with alkyl dibromides followed by conversion of functional groups and the two macrolactonization. The both enantiomers of 1 similar to 4 have been obtained by reductive desulfurization of the dithiane moiety.
    DOI:
    10.3987/com-97-7991
  • 作为产物:
    参考文献:
    名称:
    Synthesis of Both Enantiomers of Four Different Macrocyclic Lactones
    摘要:
    Both enantiomers of macrocyclic lactones, 12-tridecanolide (1), 13-tetradecanolide (2), 14-pentadecanolide (3) and 15-hexadecanolide (4), were synthesized utilizing (S)-(-)-beta-hydroxythioacetal (5) as the chiral building block. Key steps are the C-alkylation of a dianion derived from 5 with alkyl dibromides followed by conversion of functional groups and the two macrolactonization. The both enantiomers of 1 similar to 4 have been obtained by reductive desulfurization of the dithiane moiety.
    DOI:
    10.3987/com-97-7991
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文献信息

  • Synthesis of Both Enantiomers of Four Different Macrocyclic Lactones
    作者:Yoshihiro Noda、Hitoshi Kashin
    DOI:10.3987/com-97-7991
    日期:——
    Both enantiomers of macrocyclic lactones, 12-tridecanolide (1), 13-tetradecanolide (2), 14-pentadecanolide (3) and 15-hexadecanolide (4), were synthesized utilizing (S)-(-)-beta-hydroxythioacetal (5) as the chiral building block. Key steps are the C-alkylation of a dianion derived from 5 with alkyl dibromides followed by conversion of functional groups and the two macrolactonization. The both enantiomers of 1 similar to 4 have been obtained by reductive desulfurization of the dithiane moiety.
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