2-oxo-1,3-dithiol-4-carboxylic acid methyl ester | 135418-89-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 英文名称: 2-oxo-1,3-dithiol-4-carboxylic acid methyl ester
• 英文别名: methyl 1,3-dithiol-2-one-4-carboxylate；Methyl 2-oxo-1,3-dithiole-4-carboxylate
• CAS: 135418-89-2
• 化学式: C₅H₄O₃S₂
• 分子量: 176.217
• InChiKey: CROPQPYWZQIPLH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  94
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1,3-diselenole-2-selone 、 2-oxo-1,3-dithiol-4-carboxylic acid methyl ester 在 三苯基膦 作用下， 以 苯 为溶剂， 以9.2%的产率得到methyl 1,4-dithia-5,8-diselenafulvalen-2-carboxylate
  参考文献：
  名称：

  Thia-and/or selenafulvalenyl group-containing compound

  摘要：

  具有以下结构的含有thia-和/或selenafulvalenyl基团的化合物（I）：其中X.sub.1、X.sub.2、X.sub.3、X.sub.4、X'.sub.1、X'.sub.2、X'.sub.3和X'.sub.4中的每一个独立地是S或Se，Y是一个具有不会妨碍分子重叠的大小的电子给予或电子接受基团，m是0到4的整数，Z.sub.1、Z.sub.2、Z'.sub.1和Z'.sub.2中的每一个独立地是氢原子，C.sub.n H.sub.2n+1，其中n是1到5的整数，或者，Z.sub.1与Z.sub.2和Z'.sub.1与Z'.sub.2的组合是C.sub.n H.sub.2n，其中n是1到5的整数，或X（C.sub.n H.sub.2n）.sub.n'，其中X是S或Se，n'是1到3的整数，R.sub.1、R.sub.2、R.sub.3、R'.sub.1、R'.sub.2和R'.sub.3中的每一个独立地是氢原子或C.sub.n H.sub.2n+1，其中n是1到5的整数。该化合物具有电子给予性质，可用于制备电导性复合物。该化合物具有出色的热稳定性。

  公开号：

  US05175280A1

文献信息

• 2-Mono or 2,3-Bis(hydroxymethyl)-6,7-ethylenedithio-tetrathiafulvalenes: New potential precursors of organic metals endowed with hydrogen bonds
  作者：Ph. Blanchard、M. Sallé、G. Duguay、M. Jubault、A. Gorgues

  DOI：10.1016/s0040-4039(00)79057-5

  日期：1992.5

  The syntheses of new pi-unsymmetrical donors of the TTF family having half moiety of bis(ethylenedithio)-TTF (BEDT-TTF) and half moiety of TTF substituted with one (or two) hydroxymethyl group(s) are described. Their good pi-donating ability is demonstrated by cyclic voltammetry.
• Nozdryn, Tomasz; Cousseau, Jack; Gorgues, Alain, Journal of the Chemical Society. Perkin transactions I, 1993, # 15, p. 1711 - 1712
  作者：Nozdryn, Tomasz、Cousseau, Jack、Gorgues, Alain、Jubault, Michel、Orduna, Jesus、et al.

  DOI：——

  日期：——
• Thia-and/or selenafulvalenyl group-containing compound
  申请人：Idemitsu Kosan Co., Ltd.

  公开号：US05175280A1

  公开（公告）日：1992-12-29

  A thia- and/or selenafulvalenyl group-containing compound of the formula (I), ##STR1## wherein each of X.sub.1, X.sub.2, X.sub.3, X.sub.4, X'.sub.1, X'.sub.2, X'.sub.3 and X'.sub.4 is independently S or Se, Y is an electron donating or electron accepting group having a size which is not so large as to prevent molecular overlapping, m is an integer of 0 to 4, each of Z.sub.1, Z.sub.2, Z'.sub.1 and Z'.sub.2 is independently a hydrogen atom, C.sub.n H.sub.2n+1 in which n is an integer of 1 to 5, or alternatively, a combination of Z.sub.1 with Z.sub.2 and Z'.sub.1 with Z'.sub.2 is C.sub.n H.sub.2n in which n is an integer of 1 to 5, or X(C.sub.n H.sub.2n).sub.n', X in which X is S or Se and n' is an integer of 1 to 3, and each of R.sub.1, R.sub.2, R.sub.3, R'.sub.1, R'.sub.2 and R'.sub.3 is independently a hydrogen atom or C.sub.n H.sub.2n+1 in which n is an integer of 1 to 5. The compound has an electron donating nature and can be used to make electrically conductive complexes. The compound has an excellent thermal stability.

  具有以下结构的含有thia-和/或selenafulvalenyl基团的化合物（I）：其中X.sub.1、X.sub.2、X.sub.3、X.sub.4、X'.sub.1、X'.sub.2、X'.sub.3和X'.sub.4中的每一个独立地是S或Se，Y是一个具有不会妨碍分子重叠的大小的电子给予或电子接受基团，m是0到4的整数，Z.sub.1、Z.sub.2、Z'.sub.1和Z'.sub.2中的每一个独立地是氢原子，C.sub.n H.sub.2n+1，其中n是1到5的整数，或者，Z.sub.1与Z.sub.2和Z'.sub.1与Z'.sub.2的组合是C.sub.n H.sub.2n，其中n是1到5的整数，或X（C.sub.n H.sub.2n）.sub.n'，其中X是S或Se，n'是1到3的整数，R.sub.1、R.sub.2、R.sub.3、R'.sub.1、R'.sub.2和R'.sub.3中的每一个独立地是氢原子或C.sub.n H.sub.2n+1，其中n是1到5的整数。该化合物具有电子给予性质，可用于制备电导性复合物。该化合物具有出色的热稳定性。