3,4-二甲氧基苯乙胺-D2 | 37699-47-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3,4-二甲氧基苯乙胺-D2
• 英文名称: 3,4-dimethoxyphen(1,1-2H2)ethylamine
• 英文别名: 1,1-dideuterio-2-(3,4-dimethoxy-phenyl)-ethylamine；α.α'-Dideuterium-3.4-dimethoxyphenylethylamin；2-(3,4-Dimethoxyphenyl)ethyl-1,1-D2-amine；1,1-dideuterio-2-(3,4-dimethoxyphenyl)ethanamine
• CAS: 37699-47-1
• 化学式: C₁₀H₁₅NO₂
• 分子量: 183.219
• InChiKey: ANOUKFYBOAKOIR-NCYHJHSESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  44.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3,4-二甲氧基苯乙胺-D2 在 ammonium hydroxide 、 12-冠醚-4 、 sodium hydride 作用下， 以 甲醇 、 苯 为溶剂， 反应 54.5h， 生成 N-(2H3)methyl-3,4-dimethoxyphen(1,1-2H2)ethylamine
  参考文献：
  名称：

  Deuterated analogs of verapamil and nifedipine. Synthesis and biological activity

  摘要：

  The preparations of various deuterium analogs of verapamil and nifedipine have been described. Deuterium is incorporated at specific positions in the molecules in 97% isotopic purity. The deuterated analogs 1d of verapamil and 2d of nifedipine lowered blood pressure in spontaneously hypertensive rats with a profile that was, for the most part. similar to the parent compounds. It was therefore concluded that deuterium substitutions fail to significantly alter the metabolism of verapamil or nifedipine in vivo.

  DOI：

  10.1016/0223-5234(93)90142-2
• 作为产物：
  描述：

  3,4-二甲氧基苯乙腈 在 aluminium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 32.0h， 以71%的产率得到3,4-二甲氧基苯乙胺-D2
  参考文献：
  名称：

  Deuterated analogs of verapamil and nifedipine. Synthesis and biological activity

  摘要：

  The preparations of various deuterium analogs of verapamil and nifedipine have been described. Deuterium is incorporated at specific positions in the molecules in 97% isotopic purity. The deuterated analogs 1d of verapamil and 2d of nifedipine lowered blood pressure in spontaneously hypertensive rats with a profile that was, for the most part. similar to the parent compounds. It was therefore concluded that deuterium substitutions fail to significantly alter the metabolism of verapamil or nifedipine in vivo.

  DOI：

  10.1016/0223-5234(93)90142-2

文献信息

• Organophotocatalytic α-deuteration of unprotected primary amines <i>via</i> H/D exchange with D₂O
  作者：Xiang Meng、Yue Dong、Qiangqiang Liu、Wei Wang

  DOI：10.1039/d3cc04634f

  日期：——

  We report a straightforward H/D exchange method for the synthesis of α-deuterated primary amines from a diverse set of primary amines with high levels of deuteration and chemo- and site selectivity and preparative utility. This cost-effective strategy enables the direct conversion of primary amines to α-deuterated counterparts using D2O as the deuterium source under mild reaction conditions without

  我们报道了一种简单的 H/D 交换方法，用于从多种伯胺合成 α-氘代伯胺，具有高水平氘化、化学和位点选择性以及制备效用。这种经济高效的策略能够在温和的反应条件下使用 D2O 作为氘源，将伯胺直接转化为 α 氘代对应物，而无需额外的功能操作，并且副产物产生最少。
• DEUTERATED SERINE-THREONINE PROTEIN KINASE MODULATORS
  申请人：HADDACH Mustapha

  公开号：US20120129849A1

  公开（公告）日：2012-05-24

  The present invention provides deuterated compounds having certain biological activities that include, but are not limited to, inhibiting cell proliferation, modulating protein kinase activity and modulating polymerase activity. The deuterated compounds of the invention can modulate casein kinase (CK) activity and/or poly(ADP-ribose)polymerase (PARP) activity. The invention also relates in part to methods for using such deuterated compounds as therapeutic agents.
• Deuterated analogs of verapamil and nifedipine. Synthesis and biological activity
  作者：D Rampe、PW Hake、B Børretzen、KH Holm、L Skattebøl

  DOI：10.1016/0223-5234(93)90142-2

  日期：1993.1

  The preparations of various deuterium analogs of verapamil and nifedipine have been described. Deuterium is incorporated at specific positions in the molecules in 97% isotopic purity. The deuterated analogs 1d of verapamil and 2d of nifedipine lowered blood pressure in spontaneously hypertensive rats with a profile that was, for the most part. similar to the parent compounds. It was therefore concluded that deuterium substitutions fail to significantly alter the metabolism of verapamil or nifedipine in vivo.