methyl 1,2-dimethylindole-3-dithiocarboxylate | 30082-26-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: methyl 1,2-dimethylindole-3-dithiocarboxylate
• 英文别名: 1,2-dimethyl-indole-3-carbodithioic acid methyl ester；Methyl 1,2-dimethylindole-3-carbodithioate
• CAS: 30082-26-9
• 化学式: C₁₂H₁₃NS₂
• 分子量: 235.374
• InChiKey: DZHKOVUVRVICNI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  62.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  methyl 1,2-dimethylindole-3-dithiocarboxylate 在 氢氧化钾 作用下， 以 二甲基亚砜 、 丙酮 为溶剂， 生成 4-amino-5-benzoyl-2-(1,2-dimethyl-indol-3-yl)-thiophene-3-carbonitrile
  参考文献：
  名称：

  Tominaga,Y. et al., Heterocycles, 1976, vol. 4, p. 9 - 12

  摘要：

  DOI：

文献信息

• Studies on Indole Derivatives. X. : Synthesis of Methyl Indole Dithiocarboxy1ates and Reacion with Amines
  作者：GORO KOBAYASHI、YOSHIRO MATSUDA、REIKO NATSUKI、YOSHINORI TOMINAGA

  DOI：10.1248/yakushi1947.90.10_1251

  日期：——
• Synthesis of New Thiopyrylocyanines Incorporated Thiopyrano[2,3-b]indole Ring as the Main Constituent
  作者：Yoshinori Tominaga、Yasuhiro Shigemitsu、Shun-ichi Hirayama

  DOI：10.3987/com-02-9612

  日期：——

  The Diels-Alder product, dimethyl 5-methyl-4a-methyl-1-methylthiothiopyrano[4,3-b] indole-3,4-dicarboxylate (2b), which was obtained by the reaction of methyl 1,2-dimethylindole-3 -dithiocarboxylate (1b) with DMAD (dimethyl acetylenedicarboxylate), was easily converted to a 1,5-dimethyl-2,3-bis(methoxycarbonyl)indolo[2,3-b]thiopyrylium perchlorate (5) as the key intermediate for the thiopyrylocyanine and merocyanine dyes. Compounds (5 and 6) were allowed to react with aromatic aldehydes and some electrophilic reagents to yield cyanine and merocyanine dyes (8a-c, 10-12) in good yields.
• Studies on Indole Derivatives. XXIII. Diels-Alder Reaction of 3-Indoledithiocarboxylic Acid Derivatives and Dimethyl Acetylenedicarboxylate and Reactions of Their Products
  作者：YOSHINORI TOMINAGA、REIKO NATSUKI、YOSHIRO MATSUDA、GORO KOBAYASHI

  DOI：10.1248/cpb.21.2770

  日期：——
• TOMINAGA YOSHINORI; MATSUDA YOSHIRO; KOBAYASHI GORO, YAKUGAKU DZASSI, YAKUGAKU ZASSNI, J. PHARM. SOS. JAR. <YKKZ-AJ>, 1975, 95+
  作者：TOMINAGA YOSHINORI、 MATSUDA YOSHIRO、 KOBAYASHI GORO

  DOI：——

  日期：——
• Tominaga,Y. et al., Heterocycles, 1976, vol. 4, p. 9 - 12
  作者：Tominaga,Y. et al.

  DOI：——

  日期：——