1-methyl-diaziridine-3,3-dicarboxylic acid dimethyl ester | 54972-15-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 1-methyl-diaziridine-3,3-dicarboxylic acid dimethyl ester
• 英文别名: 1-Methyl-3,3-diaziridinedicarboxylic acid dimethyl ester；dimethyl 1-methyldiaziridine-3,3-dicarboxylate
• CAS: 54972-15-5；61375-79-9；61375-80-2；850670-01-8
• 化学式: C₆H₁₀N₂O₄
• 分子量: 174.156
• InChiKey: OFMRSMZKZLPANF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  77.6
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  bis(methoxymethyl)-tert-butylamine 、 1-methyl-diaziridine-3,3-dicarboxylic acid dimethyl ester 以 苯 为溶剂， 反应 12.0h， 以91%的产率得到bis-(2-methyl-3,3-bismethoxycarbonyldiaziridino-1-methyl)-tert-butylamine
  参考文献：
  名称：

  Synthesis and psychotropic activity of functionally substituted diaziridines and bisdiaziridines

  摘要：

  DOI：

  10.1007/bf00758330
• 作为产物：
  描述：

  (R)-1-Methyl-diaziridine-3,3-dicarboxylic acid dimethyl ester 以 苯 为溶剂， 生成 1-methyl-diaziridine-3,3-dicarboxylic acid dimethyl ester
  参考文献：
  名称：

  Stereochemistry of 1,2,4,5-tetraazanorbornanes and diaziridines: exciting history and news

  摘要：

  The enantiomers of asymmetric nitrogen compound 1 have been resolved; a chiral formal meso-form of diaziridine 2 has been obtained; a population of 1,2-cis-form 6a in solution has been found; and the crystal structures of 3-6 have been studied.

  DOI：

  10.1070/mc2004v014n06abeh002083

文献信息

• Asymmetric nitrogen 61. Inversion topomerization of diaziridines
  作者：G. V. Shustov、A. Yu. Shibaev、Yu. V. Puzanov、R. G. Kostyanovskii

  DOI：10.1007/bf00961120

  日期：1988.8
• KOSTYANOVSKIJ R. G.; SHUSTOV G. V.; NABIEV O. G.; DENISENKO S. N.; SUXANO+, XIM.-FARMATS. ZH., 20,(1986) N 6, 671-674
  作者：KOSTYANOVSKIJ R. G.、 SHUSTOV G. V.、 NABIEV O. G.、 DENISENKO S. N.、 SUXANO+

  DOI：——

  日期：——
• SHUSTOV, G. V.;SHIBAEV, A. YU.;PUZANOV, YU. V.;KOSTYANOVSKIJ, R. G., IZV. AN CCCP. CEP. XIM.,(1988) N 8, 1869-1875
  作者：SHUSTOV, G. V.、SHIBAEV, A. YU.、PUZANOV, YU. V.、KOSTYANOVSKIJ, R. G.

  DOI：——

  日期：——
• AGENTS FOR TREATING MENTAL DISORDERS
  申请人：CRO Consulting Limited

  公开号：EP2807150A2

  公开（公告）日：2014-12-03
• [EN] AGENTS FOR TREATING MENTAL DISORDERS<br/>[FR] AGENTS POUR LE TRAITEMENT DE TROUBLES MENTAUX
  申请人：CRO CONSULTING LTD

  公开号：WO2013111117A2

  公开（公告）日：2013-08-01

  The present invention relates to compounds of formula I, use of these compounds to treat mental and neurological disorders, especially depressions and psychoses of different etiology. The compounds provided for the treatment of mental and neurological disorders are presented by a general formula I: wherein R, R', R", Y are as defined in specification or pharmaceutically acceptable salts thereof, solvates thereof such as hydrates, and pharmaceutical compositions containing such compounds.