12-(6-bromo-4-methylbenzothiazol-2-yl)-1,3-dimethyl-1H,3H-spiro[chromeno[3,4-b]pyrido[2,3-d]pyrimidine-indoline]-2,2',4,6-tetrone | 1393581-59-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 12-(6-bromo-4-methylbenzothiazol-2-yl)-1,3-dimethyl-1H,3H-spiro[chromeno[3,4-b]pyrido[2,3-d]pyrimidine-indoline]-2,2',4,6-tetrone
• 英文别名: 18'-(6-bromo-4-methyl-1,3-benzothiazol-2-yl)-14',16'-dimethylspiro[1H-indole-3,11'-8-oxa-14,16,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,12(17)-pentaene]-2,9',13',15'-tetrone
• CAS: 1393581-59-3
• 化学式: C₃₁H₂₀BrN₅O₅S
• 分子量: 654.5
• InChiKey: ZDUWAISUVAFJMT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  43
• 可旋转键数：
  1
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  140
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  4-羟基香豆素 、 1,3-二甲基巴比妥酸 、 6-bromo-4-methylbenzo[d]thiazol-2-amine 、 靛红 在 1-丁基磺酸-3-甲基咪唑硫酸氢盐 作用下， 以 水 为溶剂， 反应 0.42h， 以90%的产率得到12-(6-bromo-4-methylbenzothiazol-2-yl)-1,3-dimethyl-1H,3H-spiro[chromeno[3,4-b]pyrido[2,3-d]pyrimidine-indoline]-2,2',4,6-tetrone
  参考文献：
  名称：

  Use of SO3H-functionalized halogenfree ionic liquid ([MIM(CH2)4SO3H] [HSO4]) as efficient promoter for the synthesis of structurally diverse spiroheterocycles

  摘要：

  Structurally diverse spiroheterocycles with fused systems incorporating medicinally privileged systems have been synthesized by an efficient and convenient synthetic method involving four component domino reaction of 2-aminobenzothiazoles with isatin and cyclic beta-diketones using SO3H-functionlized halogenfree ionic liquid ([MIM(CH2)(4)SO3][HSO4]) in aqueous medium. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.06.085

文献信息

• Use of SO3H-functionalized halogenfree ionic liquid ([MIM(CH2)4SO3H] [HSO4]) as efficient promoter for the synthesis of structurally diverse spiroheterocycles
  作者：Mahendra Kumar、Kailash Sharma、Anand Kumar Arya

  DOI：10.1016/j.tetlet.2012.06.085

  日期：2012.8

  Structurally diverse spiroheterocycles with fused systems incorporating medicinally privileged systems have been synthesized by an efficient and convenient synthetic method involving four component domino reaction of 2-aminobenzothiazoles with isatin and cyclic beta-diketones using SO3H-functionlized halogenfree ionic liquid ([MIM(CH2)(4)SO3][HSO4]) in aqueous medium. (C) 2012 Elsevier Ltd. All rights reserved.