ethyl N-(ethoxycarbonylamino)sulfanyl-N-[(5-methyl-3-oxo-2,4-diphenylcyclopenta-1,4-dien-1-yl)methyl]carbamate | 608536-78-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: ethyl N-(ethoxycarbonylamino)sulfanyl-N-[(5-methyl-3-oxo-2,4-diphenylcyclopenta-1,4-dien-1-yl)methyl]carbamate
• CAS: 608536-78-3
• 化学式: C₂₅H₂₆N₂O₅S
• 分子量: 466.558
• InChiKey: INBWOAUSNALNTP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  33
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  110
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  丁炔二酸二甲酯 、 ethyl N-(ethoxycarbonylamino)sulfanyl-N-[(5-methyl-3-oxo-2,4-diphenylcyclopenta-1,4-dien-1-yl)methyl]carbamate 生成 Dimethyl 4-[[ethoxycarbonyl-(ethoxycarbonylamino)sulfanylamino]methyl]-5-methyl-3,6-diphenylbenzene-1,2-dicarboxylate
  参考文献：
  名称：

  Cycloadditions of NS functions to cyclopentadienones

  摘要：

  Cyclopentadienones react with EtO2CN=S=O and related N=S reagents to provide ready syntheses of 1,2,5-thiadiazolidines (8, 12, 17), diaminosulfanes (11, 13), an aminocyclopentenone (10) and the first unoxidised 1,2,3-oxathiazolidine (16), all in a mechanistically rational manner. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(03)01646-0
• 作为产物：
  描述：

  3,4-dimethyl-2,5-diphenylcyclopenta-2,4-dienone 在 氢气 作用下， 以 甲苯 为溶剂， 生成 ethyl N-(ethoxycarbonylamino)sulfanyl-N-[(5-methyl-3-oxo-2,4-diphenylcyclopenta-1,4-dien-1-yl)methyl]carbamate
  参考文献：
  名称：

  Cycloadditions of NS functions to cyclopentadienones

  摘要：

  Cyclopentadienones react with EtO2CN=S=O and related N=S reagents to provide ready syntheses of 1,2,5-thiadiazolidines (8, 12, 17), diaminosulfanes (11, 13), an aminocyclopentenone (10) and the first unoxidised 1,2,3-oxathiazolidine (16), all in a mechanistically rational manner. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(03)01646-0

文献信息

• Cycloadditions of NS functions to cyclopentadienones
  作者：Hadjila Chabane、Otto Meth-Cohn、Charles W. Rees、Andrew J.P. White、David J. Williams

  DOI：10.1016/s0040-4039(03)01646-0

  日期：2003.8

  Cyclopentadienones react with EtO2CN=S=O and related N=S reagents to provide ready syntheses of 1,2,5-thiadiazolidines (8, 12, 17), diaminosulfanes (11, 13), an aminocyclopentenone (10) and the first unoxidised 1,2,3-oxathiazolidine (16), all in a mechanistically rational manner. (C) 2003 Elsevier Ltd. All rights reserved.