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2,6-二甲基二萘并[2,1-D:1',2'-F][1,3]二硫杂卓e | 190841-60-2

中文名称
2,6-二甲基二萘并[2,1-D:1',2'-F][1,3]二硫杂卓e
中文别名
4-己烯酸,2,6-二氨基-2-甲基-,(2S,4E)-
英文名称
2,6-Dimethyl-3,5-dithia-cyclohepta[2,1-a;3,4-a']dinaphthalene
英文别名
2,6-Dimethyl-4H-dinaphtho[2,1-d:1',2'-f][1,3]dithiepine;10,16-dimethyl-12,14-dithiapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
2,6-二甲基二萘并[2,1-D:1',2'-F][1,3]二硫杂卓e化学式
CAS
190841-60-2
化学式
C23H18S2
mdl
——
分子量
358.528
InChiKey
FZEJKYQFNJWSPX-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):
    7.7
  • 重原子数:
    25
  • 可旋转键数:
    0
  • 环数:
    5.0
  • sp3杂化的碳原子比例:
    0.13
  • 拓扑面积:
    50.6
  • 氢给体数:
    0
  • 氢受体数:
    2

SDS

SDS:9aacb266642046e27bb3db5d66d6e63e
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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:
    苯甲醛2,6-二甲基二萘并[2,1-D:1',2'-F][1,3]二硫杂卓e正丁基锂 作用下, 以 四氢呋喃 为溶剂, 反应 3.0h, 以96%的产率得到(S)-(2,6-Dimethyl-3,5-dithia-cyclohepta[2,1-a;3,4-a']dinaphthalen-4-yl)-phenyl-methanol
    参考文献:
    名称:
    Synthesis of Structurally Modified Atropisomeric Biaryl Dithiols. Observations on the Newman-Kwart Rearrangement
    摘要:
    The preparation of a number of biaryldithiols from biaryldiols is discussed. A key reaction is the Newman-Kwart thermorearrangement of bisthiocarbamates and crucial variables of temperature and reaction time have been identified. Alternative approaches to 3,3'-disubstituted dithiols via ortho metallation are presented, The benefit of using such disubstituted compounds is illustrated with representative examples of the stereochemical features of the derived carbanions in reactions with prochiral electrophiles. (C) 1997 Published by Elsevier Science Ltd.
    DOI:
    10.1016/s0040-4020(97)00268-8
  • 作为产物:
    描述:
    3-(4-羟基苯基)苯甲基醇 在 lithium aluminium tetrahydride 、 三氟化硼乙醚 作用下, 以 四氢呋喃二氯甲烷 为溶剂, 反应 16.0h, 生成 2,6-二甲基二萘并[2,1-D:1',2'-F][1,3]二硫杂卓e
    参考文献:
    名称:
    Synthesis of Structurally Modified Atropisomeric Biaryl Dithiols. Observations on the Newman-Kwart Rearrangement
    摘要:
    The preparation of a number of biaryldithiols from biaryldiols is discussed. A key reaction is the Newman-Kwart thermorearrangement of bisthiocarbamates and crucial variables of temperature and reaction time have been identified. Alternative approaches to 3,3'-disubstituted dithiols via ortho metallation are presented, The benefit of using such disubstituted compounds is illustrated with representative examples of the stereochemical features of the derived carbanions in reactions with prochiral electrophiles. (C) 1997 Published by Elsevier Science Ltd.
    DOI:
    10.1016/s0040-4020(97)00268-8
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文献信息

  • Synthesis of Structurally Modified Atropisomeric Biaryl Dithiols. Observations on the Newman-Kwart Rearrangement
    作者:Sergio Cossu、Ottorino De Lucchi、Davide Fabbri、Giovanni Valle、Gavin F. Painter、Robin A.J. Smith
    DOI:10.1016/s0040-4020(97)00268-8
    日期:1997.4
    The preparation of a number of biaryldithiols from biaryldiols is discussed. A key reaction is the Newman-Kwart thermorearrangement of bisthiocarbamates and crucial variables of temperature and reaction time have been identified. Alternative approaches to 3,3'-disubstituted dithiols via ortho metallation are presented, The benefit of using such disubstituted compounds is illustrated with representative examples of the stereochemical features of the derived carbanions in reactions with prochiral electrophiles. (C) 1997 Published by Elsevier Science Ltd.
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