1-(1,2-dibromoethanethio)-1,3,4,4-tetrachloro-2-nitro-1,3-butadiene | 907620-49-9

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: 1-(1,2-dibromoethanethio)-1,3,4,4-tetrachloro-2-nitro-1,3-butadiene
• CAS: 907620-49-9
• 化学式: C₇H₅Br₂Cl₄NO₂S
• 分子量: 468.808
• InChiKey: JMRGKJNFSUWYCY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.45
• 重原子数：
  17.0
• 可旋转键数：
  6.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  43.14
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  Propionic acid piperazin-1-yl ester 、 1-(1,2-dibromoethanethio)-1,3,4,4-tetrachloro-2-nitro-1,3-butadiene 以 二氯甲烷 为溶剂， 以75%的产率得到Propionic acid 4-[(E)-3,4,4-trichloro-1-(2,3-dibromo-propylsulfanyl)-2-nitro-buta-1,3-dienyl]-piperazin-1-yl ester
  参考文献：
  名称：

  The Novel N, S-Substituted Halonitrodienes from the Reactions of Thiosubstituted Nitrodiene with Piperazine and Morpholine

  摘要：

  The substituted 1,2-dibromomethanethio nitrodiene 2 was obtained from the addition of bromine to S-substituted nitrodien 1 in carbon tetrachloride. N,S-substituted compounds 4a-h were synthesized from the reactions of compound 2 with several substituted piperazine derivatives 3a-h in dichloromethane. N,S-substituted compounds 6 and 8 were synthesized from the reaction of 2 with morpholine (5) and thiomorpholine (7) in dichloromethane, respectively. Dibutadienyl piperazines 10, 12, and 14 were synthesized from the reactions of 2 with homopiperazine (9), piperazine (11), and 2,5-dimethylpiperazine (13), respectively.

  DOI：

  10.1080/104265090968163
• 作为产物：
  描述：

  1-(allylthio)-1,3,4,4-tetrachloro-2-nitro-1,3-butadiene 在 溴 作用下， 以 四氯化碳 为溶剂， 反应 3.0h， 以86%的产率得到1-(1,2-dibromoethanethio)-1,3,4,4-tetrachloro-2-nitro-1,3-butadiene
  参考文献：
  名称：

  The Novel N, S-Substituted Halonitrodienes from the Reactions of Thiosubstituted Nitrodiene with Piperazine and Morpholine

  摘要：

  The substituted 1,2-dibromomethanethio nitrodiene 2 was obtained from the addition of bromine to S-substituted nitrodien 1 in carbon tetrachloride. N,S-substituted compounds 4a-h were synthesized from the reactions of compound 2 with several substituted piperazine derivatives 3a-h in dichloromethane. N,S-substituted compounds 6 and 8 were synthesized from the reaction of 2 with morpholine (5) and thiomorpholine (7) in dichloromethane, respectively. Dibutadienyl piperazines 10, 12, and 14 were synthesized from the reactions of 2 with homopiperazine (9), piperazine (11), and 2,5-dimethylpiperazine (13), respectively.

  DOI：

  10.1080/104265090968163

文献信息

• New N,S-Derivatives of Nitrodienes from Thioallyl-and Thiodibromopropyl Nitrodienes
  作者：Cemil İbiş、Nihal Onul

  DOI：10.1080/10426500600695229

  日期：2006.10.1

  Compound 3 and 5a,b were obtained from the reaction of 1,3,4,4-tetrachloro-1-thioallyl-2-nitro-1,3-butadiene (1) with thiomorpholine (2) and piperazine derivatives 4a,b in dichloromethane. The reaction of compound 1 and bromine gave compound 6. Compounds 8 and 10 were obtained from the reaction of 6 with 1-(diphenylmethyl)piperazine (7) and piperidine (9) in dichloromethane. The derivative 13 was synthesized from the reaction of 4-bromo-1,1,3,4-tetrachloro-2nitro-1,3-butadiene (11) and allylmercaptane (12). Compounds 15 and 16a, b were obtained from the reaction of 1-allyl-4-bromo-1,3,4-trichloro-2-nitro-1,3-butadiene (13) with morpholine (14) and the piperazine derivatives 16a,b, in dichloromethane, respectively.