1.2.5.6.7.8-Hexahydro-3H-imidazo<1.2-a>1.3-diazepin | 5627-31-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑二氮卓类
• 英文名称: 1.2.5.6.7.8-Hexahydro-3H-imidazo<1.2-a>1.3-diazepin
• 英文别名: 1,4,9-Triaza-bicyclo<5.3.0>dec-9-en；2,3,5,6,7,8-hexahydro-1H-imidazo[1,2-a][1,3]diazepine；2,3,5,6,7,8-Hexahydro-1H-imidazo[1,2-a][1,3]diazepin；3H-Imidazo[1,2-a]-1,3-diazepine, 1,2,5,6,7,8-hexahydro-；2,3,5,6,7,8-hexahydro-1H-imidazo[1,2-a][1,3]diazepine
• CAS: 5627-31-6
• 化学式: C₇H₁₃N₃
• mdl: MFCD19227991
• 分子量: 139.2
• InChiKey: HBWDWJSRXYGILY-UHFFFAOYSA-N

物化性质

• 沸点：
  222.3±23.0 °C(Predicted)
• 密度：
  1.28±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.857
• 拓扑面积：
  27.6
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1.2.5.6.7.8-Hexahydro-3H-imidazo<1.2-a>1.3-diazepin 在 硝酸 、 乙酸酐 作用下， 生成 1-nitro-2,3,5,6,7,8-hexahydro-1H-imidazo[1,2-a][1,3]diazepine; nitrate
  参考文献：
  名称：

  PREPARATION AND CHEMISTRY OF Δ⁸-HEXAHYDRO-1,4,8-PYRIMIDAZOLE, Δ⁹-1,5,9-TRIAZABICYCLO(4.4.0)DECENE, AND Δ⁹-1,4,9-TRIAZABICYGLO(5.3.0)DECENE

  摘要：

  Δ⁸-六氢-1,4,8-嘧啶，Δ⁹-1,5,9-三氮杂双环(4.4.0)癸烯和Δ⁹-1,4,9-三氮杂双环(5.3.0)癸烯的制备方法从相应的2-(ω-羟基烷基氨基)-Δ²-1,3-二氮杂环烯经氯化和脱卤反应得到。这些双环化合物的硝基衍生物在回流乙醇中比1-硝基-2,3,5,6-四氢-1-咪唑(1,2-a)咪唑稳定。

  DOI：

  10.1139/v57-190
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 氢氧化钾 作用下， 生成 1.2.5.6.7.8-Hexahydro-3H-imidazo<1.2-a>1.3-diazepin
  参考文献：
  名称：

  PREPARATION AND CHEMISTRY OF Δ⁸-HEXAHYDRO-1,4,8-PYRIMIDAZOLE, Δ⁹-1,5,9-TRIAZABICYCLO(4.4.0)DECENE, AND Δ⁹-1,4,9-TRIAZABICYGLO(5.3.0)DECENE

  摘要：

  Δ⁸-六氢-1,4,8-嘧啶，Δ⁹-1,5,9-三氮杂双环(4.4.0)癸烯和Δ⁹-1,4,9-三氮杂双环(5.3.0)癸烯的制备方法从相应的2-(ω-羟基烷基氨基)-Δ²-1,3-二氮杂环烯经氯化和脱卤反应得到。这些双环化合物的硝基衍生物在回流乙醇中比1-硝基-2,3,5,6-四氢-1-咪唑(1,2-a)咪唑稳定。

  DOI：

  10.1139/v57-190

文献信息

• SOME NEW SULPHONAMIDES AND DERIVATIVES OF BICYCLIC GUANIDINES
  作者：M.-E. Kreling、A. F. McKay

  DOI：10.1139/v58-114

  日期：1958.5.1

  The preparations and bacteriostatic activities of some sulphonamide derivatives of the bicyclic guanidines are described. Some l-(2-hydroxy-3-(aryloxy)propyl)-2,3,5,6-tetrahydro-1-imidaz(1,2-a)imidazoles have also been prepared.

  描述了一些双环胍磺酰胺衍生物的制备和抑菌活性。还制备了一些1-(2-羟基-3-(芳氧基)丙基)-2,3,5,6-四氢-1-咪唑(1,2-a)咪唑。
• Strong reducing agents containing dimolybdenum Mo24+ units and their oxidized cations with Mo25+/6+ cores stabilized by bicyclic guanidinate anions with a seven-membered ring
  作者：F. Albert Cotton、Carlos A. Murillo、Xiaoping Wang、Chad C. Wilkinson

  DOI：10.1039/b608422b

  日期：——

  The syntheses of two analogues of the bicyclic guanidinate ligand hpp (hpp = the anion of the guanidine-type compound 1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2a]pyrimidine) which contain two fused rings are reported. Each compound contains one seven-membered ring while the other is either a five (Htbd) or a six (Htbu) membered ring. In THF/Bu4NPF6, the dimolybdenum compounds Mo2(tbd)4 and Mo2(tbu)4 are easily oxidized and they have signals in the differential pulse voltammograms at −1.059 and −1.009 V (vs. Ag/AgCl), respectively and for the Mo25+/6+ couples and in the same order −0.242 and −0.312 V for the Mo26+/5+ couples. The two compounds produce the corresponding Mo2(bicyclic guanidinate)4Cl compounds immediately upon dissolution in CH2Cl2 and these easily form species with Mo26+ cores. In Mo2(tbd)4Cl there are two crystallographically independent molecules with Mo–Mo distances of 2.1711(7) and 2.1690(7) Å. The distance between metal atoms increases to 2.206(1) Å upon oxidation to Mo2(tbd)4Cl2 which has a triply bonded Mo26+ core. For the diamagnetic compound Mo2(tbu)4 this distance is 2.0677(9) Å and it increases to 2.133(2) Å upon reduction of the bond order from 4 to 3.5 in the paramagnetic compound Mo2(tbu)4Cl.

  报告了两种含有两个稠环的二环胍基配体hpp（hpp = 胍基化合物1,3,4,6,7,8-六氢-2H-嘧啶并[1,2a]嘧啶的阴离子）类似物的合成。每种化合物包含一个七元环，而另一个要么是五元环（Htbd），要么是六元环（Htbu）。在THF/Bu4NPF6中，二钼化合物Mo2(tbd)4和Mo2(tbu)4很容易被氧化，它们在差分脉冲伏安图中的信号分别为-1.059和-1.009 V（相对于Ag/AgCl），对于Mo25+/6+偶合，信号顺序为-0.242和-0.312 V，对于Mo26+/5+偶合，信号顺序为-0.242和-0.312 V。这两种化合物在溶于CH2Cl2后立即产生相应的Mo2(二环胍基)4Cl化合物，这些化合物很容易形成具有Mo26+核心的物种。在Mo2(tbd)4Cl中，有两个晶体学上独立的分子，Mo-Mo距离分别为2.1711(7)和2.
• Procédé de synthèse d'esters de l'acide mercapto-3 propionique
  申请人：ELF AQUITAINE EXPLORATION PRODUCTION FRANCE

  公开号：EP0844237B1

  公开（公告）日：2000-05-31
• SEMI-PERMANENT HAIR STRAIGHTENING COMPOSITION AND METHOD
  申请人：Lubrizol Advanced Materials, Inc.

  公开号：EP3065831A1

  公开（公告）日：2016-09-14
• Semi-Permanent Hair Straightening Composition And Method
  申请人：LUBRIZOL ADVANCED MATERIALS, INC.

  公开号：US20160296449A1

  公开（公告）日：2016-10-13

  A composition and a process for straightening hair are disclosed. The process includes coating keratin fibers with a composition comprising a thermally-activated agent and a guanidine moiety containing adjuvant compound and contacting the coated keratin fibers with a heating device at a temperature of at least 185 C for sufficient time to modify the keratin fibers.