2,3-Dihydro-5,7-dimethyl-6H-1,4-diazepin | 16418-17-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2,3-Dihydro-5,7-dimethyl-6H-1,4-diazepin
• 英文别名: 5,7-dimethyl-3,6-dihydro-2H-1,4-diazepine
• CAS: 16418-17-0
• 化学式: C₇H₁₂N₂
• 分子量: 124.186
• InChiKey: RWWCCOUUBVLGDN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  24.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,3-Dihydro-5,7-dimethyl-6H-1,4-diazepin 在 钯 氢气 作用下， 以 乙醇 为溶剂， 反应 48.0h， 以1.37 g的产率得到5,7-dimethyl-1,4-diazacycloheptane
  参考文献：
  名称：

  两种杂环胺的反式铂配合物的合成及体外细胞毒性

  摘要：

  描述了铂 (II) 配合物反式-[PtCl2(DMSO)(C4H9NO)] 和反式-[PtCl2(DMSO)(dmdze)] 的合成和晶体结构，并讨论了导致它们形成的机制。复合反式-[PtCl2(DMSO)(C4H9NO)] 在三斜空间群 P1 中结晶，a 8.1432(8), b 8.5224(8), c 9.0801(9) Å, α 111.780(1), β 91.074(2) ), γ 98.349(2)°, Z 2, 其结构在 2470 F 时被细化到 0.019 的 R 值。测定了该复合物的细胞毒性，发现其低于顺铂。复合反式-[PtCl2(DMSO)(dmdze)] 在单斜空间群 C2/c 中结晶，a 23.498(5), b 8.048(2), c 17.859(6) Å, β 120.88(2), Z 8 , 其结构在 2712 F 上被细化为 0.034 的 R 值。

  DOI：

  10.1071/ch03021
• 作为产物：
  描述：

  4-[2-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one 在 溶剂黄146 作用下， 反应 24.0h， 生成 2,3-Dihydro-5,7-dimethyl-6H-1,4-diazepin
  参考文献：
  名称：

  Bisthiosemicarbazones of 2,4-pentanedione are pyrazolines

  摘要：

  Attempts to prepare 2,4-bisthiosemicarbamoylpentanediones 1 via literature precedent from 2,4-pentanedione and three different thiosemicarbazides resulted instead in the formation of cyclic pyrazolines 5. The preparation was attempted with thiosemicarbazide, 4-methylthiosemicarbazide, and 4-ethylthiosemicarbazide, respectively. A single-crystal X-ray structure study of the product from 4-methylthiosemicarbazide confirmed the pyrazoline structure. This observation serves to correct earlier misassignments of structure.

  DOI：

  10.1139/cjc-76-5-522

文献信息

• A novel synthesis of bisthiosemicarbazones of pentane-2,4-dione
  作者：C. N. O'Callaghan、Dermot Twomey

  DOI：10.1039/j39670002400

  日期：——

  1,2-Bis-(1-methyl-3-oxobutylideneamino)ethane on treatment with thiosemicarbazides yields bisthiosemicarbazones of pentane-2,4-dione. It is suggested that reaction takes place via a 1,4-diazepine intermediate. 1,4-Diazepine derivatives yield similar bisthiosemicarbazones on reaction with thiosemicarbazides.

  用硫代氨基脲处理1,2-双-（1-甲基-3-氧代丁烯氨基）乙烷可生成戊烷-2,4-二酮的双硫代半氨基甲酮。建议反应通过1，4-二氮杂intermediate中间体进行。1,4-二氮杂pine衍生物与硫代氨基脲反应生成相似的双硫代半氨基甲酮。
• US4806485A
  申请人：——

  公开号：US4806485A

  公开（公告）日：1989-02-21
• Bisthiosemicarbazones of 2,4-pentanedione are pyrazolines
  作者：Duncan H. Hunter、Chantelle McRoberts、Jagadese J. Vittal

  DOI：10.1139/cjc-76-5-522

  日期：——

  Attempts to prepare 2,4-bisthiosemicarbamoylpentanediones 1 via literature precedent from 2,4-pentanedione and three different thiosemicarbazides resulted instead in the formation of cyclic pyrazolines 5. The preparation was attempted with thiosemicarbazide, 4-methylthiosemicarbazide, and 4-ethylthiosemicarbazide, respectively. A single-crystal X-ray structure study of the product from 4-methylthiosemicarbazide confirmed the pyrazoline structure. This observation serves to correct earlier misassignments of structure.
• The Synthesis and in Vitro Cytotoxicity of Two trans-Platinum Complexes of Heterocyclic Amines
  作者：Georgina Giannikopoulos、Chih-Lynne Teo、Matthew D. Hall、Ronald R. Fenton、Trevor W. Hambley

  DOI：10.1071/ch03021

  日期：——

  The syntheses and crystal structures of the platinum(II) complexes trans-[PtCl2(DMSO)(C4H9NO)] and trans-[PtCl2(DMSO)(dmdze)] are described and the mechanisms leading to their formation are discussed. The complex trans-[PtCl2(DMSO)(C4H9NO)] crystallizes in the triclinic space group P1, a 8.1432(8), b 8.5224(8), c 9.0801(9) Å, α 111.780(1), β 91.074(2), γ 98.349(2)°, Z 2, and its structure was refined

  描述了铂 (II) 配合物反式-[PtCl2(DMSO)(C4H9NO)] 和反式-[PtCl2(DMSO)(dmdze)] 的合成和晶体结构，并讨论了导致它们形成的机制。复合反式-[PtCl2(DMSO)(C4H9NO)] 在三斜空间群 P1 中结晶，a 8.1432(8), b 8.5224(8), c 9.0801(9) Å, α 111.780(1), β 91.074(2) ), γ 98.349(2)°, Z 2, 其结构在 2470 F 时被细化到 0.019 的 R 值。测定了该复合物的细胞毒性，发现其低于顺铂。复合反式-[PtCl2(DMSO)(dmdze)] 在单斜空间群 C2/c 中结晶，a 23.498(5), b 8.048(2), c 17.859(6) Å, β 120.88(2), Z 8 , 其结构在 2712 F 上被细化为 0.034 的 R 值。