4,5-(2'-methoxy-1',3'-dithiapropano)-1,3-dithiole-2-one | 116341-68-5

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 4,5-(2'-methoxy-1',3'-dithiapropano)-1,3-dithiole-2-one
• 英文别名: 2-Methoxy-[1,3]dithiolo[4,5-d][1,3]dithiole-5-thione
• CAS: 116341-68-5
• 化学式: C₅H₄OS₅
• 分子量: 240.416
• InChiKey: PPRLHHPHVZDBSU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  143
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4,5-(2'-methoxy-1',3'-dithiapropano)-1,3-dithiole-2-one 在 tetrafluoroboric acid 、 乙酸酐 作用下， 以 二氯甲烷 为溶剂， 以95%的产率得到
  参考文献：
  名称：

  Bis(2-methylidene-1,3-dithiolo[4,5-d])tetrathiafulvalene (BDT-TTF): A tetrathiafulvalene condensed with 1,3-dithiol-2-ylidene moieties

  摘要：

  Four alkyl derivatives of the title donor (1a-d) have been synthesized. The electrochemical properties investigated by cyclic voltammetry and the electrical conductivities of charge-transfer complexes with tetrafluoro-tetracyanoquinodimethane and 2-3-dichloro-5,6-dicyano-p-benzoquinone are also presented.

  DOI：

  10.1016/s0040-4039(00)74250-x
• 作为产物：
  描述：

  1,1-二氯甲醚 、 bis(tetrabutylammonium) bis(2-thioxo-1,3-dithiole-4,5-dithiolato)zincate 以 丙酮 为溶剂， 反应 0.08h， 以85%的产率得到4,5-(2'-methoxy-1',3'-dithiapropano)-1,3-dithiole-2-one
  参考文献：
  名称：

  新的电子给体—双（3-oxy-1,5-dithiapentano）tetrathiafulvalene

  摘要：

  DOI：

  10.1007/bf00479364

文献信息

• Preparation of 4,5-(alkylmethylenedithio)-1,3-dithiole-2-chalcogenones: Building blocks for the mono-alkylated TTF donors
  作者：Jun-ichi Yamada、Kuniharu Aoki、Shin'ichi Nakatsuji、Hiroyuki Nishikawa、Isao Ikemoto、Koichi Kikuchi

  DOI：10.1016/s0040-4039(99)01328-3

  日期：1999.9

  4,5-(Methoxymethylenedithio)-1,3-dithiole-2-chalcogenones 3 and 4 have been alkylated by using R3Al and RMgX (X = Cl or Br)TiCl4 complex reagent to give the title compounds 1 and 2. Cross-coupling of 1a-d with 5 furnished the mono-alkylated MET derivatives 6a-d, and the ClO4 and PF6 Salts of 6b exhibited metallic conducting behavior for compressed pellets. (C) 1999 Elsevier Science Ltd. All rights reserved.
• RUSSKIX, V. S.;ABASHEV, G. G., XIMIYA GETEROTSIKL. SOED.,(1987) N 11, 1483-1485
  作者：RUSSKIX, V. S.、ABASHEV, G. G.

  DOI：——

  日期：——
• New electron donor ? Bis(3-oxy-1,5-dithiapentano)tetrathiafulvalene
  作者：V. S. Russkikh、G. G. Abashev

  DOI：10.1007/bf00479364

  日期：1987.11
• Bis(2-methylidene-1,3-dithiolo[4,5-d])tetrathiafulvalene (BDT-TTF): A tetrathiafulvalene condensed with 1,3-dithiol-2-ylidene moieties
  作者：Yohji Misaki、Hiroyuki Nishikawa、Kazuya Kawakami、Takashi Uehara、Tokio Yamabe

  DOI：10.1016/s0040-4039(00)74250-x

  日期：1992.7

  Four alkyl derivatives of the title donor (1a-d) have been synthesized. The electrochemical properties investigated by cyclic voltammetry and the electrical conductivities of charge-transfer complexes with tetrafluoro-tetracyanoquinodimethane and 2-3-dichloro-5,6-dicyano-p-benzoquinone are also presented.