N-(2H3)甲基(2H3)甲烷(2H)胺 | 22024-52-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: N-(2H3)甲基(2H3)甲烷(2H)胺
• 英文名称: dimethylamine-d7
• 英文别名: Perdeutero-dimethylamin；perdeuterated dimethylamine；deuterio-bis-trideuteriomethyl-amine；N,1,1,1-tetradeuterio-N-(trideuteriomethyl)methanamine
• CAS: 22024-52-8
• 化学式: C₂H₇N
• 分子量: 52.0287
• InChiKey: ROSDSFDQCJNGOL-KBKLHOFPSA-N

物化性质

• 沸点：
  7 °C(lit.)
• 闪点：
  -7 °C

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  3
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 危险品标志：
  F+,Xn
• 安全说明：
  S16,S26,S39
• 危险类别码：
  R12,R20,R37/38,R41
• 危险品运输编号：
  UN 1032 2.1

反应信息

• 作为反应物：
  描述：

  N-(2H3)甲基(2H3)甲烷(2H)胺 在 氨 、 三氯氧磷 作用下， 以 四氢呋喃 为溶剂， 生成 六甲基磷酰三胺-d18
  参考文献：
  名称：

  Reduction of an Hexamethylphosphoramide Degradation Product: A Diazabutadiene

  摘要：

  Alkali metal over-reduction of an electron acceptor in the presence of a hydrogen atom donor, In hexamethylphosphoramide (HMPA), results in a radical that is not simply the anion radical of the acceptor. This new species exhibits an enigmatic EPR pattern. Using N-15 and H-2 labeling studies, the "HMPA degradation product" was found to be the anion radical of N,N'-dimethyl-1,4-diazabutadiene. DFT calculations support this assignment and a mechanism for its formation.

  DOI：

  10.1021/ol901798s

文献信息

• 2-Carboxamide Cycloamino Ureas
  申请人：FAIRHURST Robin Alec

  公开号：US20110003786A1

  公开（公告）日：2011-01-06

  The present invention relates to compounds of formula I and salts thereof, wherein the substituents are as defined in the description, to compositions and use of the compounds in the treatment of diseases ameloriated by inhibition of phosphatidylinositol 3-kinase.

  本发明涉及公式I的化合物及其盐，其中取代基如描述中所定义，以及该化合物在治疗通过抑制磷脂酰肌醇3-激酶改善的疾病中的应用。
• Reduction of an Hexamethylphosphoramide Degradation Product: A Diazabutadiene
  作者：Brad D. Rose、Steven J. Peters、Richard C. Reiter、Cheryl D. Stevenson

  DOI：10.1021/ol901798s

  日期：2009.10.15

  Alkali metal over-reduction of an electron acceptor in the presence of a hydrogen atom donor, In hexamethylphosphoramide (HMPA), results in a radical that is not simply the anion radical of the acceptor. This new species exhibits an enigmatic EPR pattern. Using N-15 and H-2 labeling studies, the "HMPA degradation product" was found to be the anion radical of N,N'-dimethyl-1,4-diazabutadiene. DFT calculations support this assignment and a mechanism for its formation.