2-bromo[1-14C]ethanol | 62921-02-2

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 卤代醇
• 英文名称: 2-bromo[1-14C]ethanol
• 英文别名: 2-bromo(114C)ethanol
• CAS: 62921-02-2
• 化学式: C₂H₅BrO
• 分子量: 126.954
• InChiKey: LDLCZOVUSADOIV-HQMMCQRPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  4
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-巯基乙醇 、 2-bromo[1-14C]ethanol 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 反应 2.0h， 生成 2-(2-hydroxyethylsulfanyl)(114C)ethanol
  参考文献：
  名称：

  A convenient synthesis of [14C]1,1′-thiobis(2-chloroethane), [14C]sulfur mustard

  摘要：

  The synthesis of [C-14]sulfur mustard is described, starting from bromo[1-C-14]acetic acid.

  DOI：

  10.1002/(sici)1099-1344(199903)42:3<269::aid-jlcr186>3.0.co;2-0
• 作为产物：
  描述：

  [1-¹⁴C]bromoacetic acid 在 硼烷四氢呋喃络合物 作用下， 以 四氢呋喃 为溶剂， 生成 2-bromo[1-14C]ethanol
  参考文献：
  名称：

  A convenient synthesis of [14C]1,1′-thiobis(2-chloroethane), [14C]sulfur mustard

  摘要：

  The synthesis of [C-14]sulfur mustard is described, starting from bromo[1-C-14]acetic acid.

  DOI：

  10.1002/(sici)1099-1344(199903)42:3<269::aid-jlcr186>3.0.co;2-0

文献信息

• Synthesis of 4-tert-butyl-3-(2-chloro -[-2-14C]ethyl)ureido benzene
  作者：El-mostafa Azim、Jean-Michel Dupuy、Jean-Claude Maurizis、René C. Gaudreault、Annie Veyre、Jean-Claude Madelmont

  DOI：10.1002/(sici)1099-1344(199707)39:7<559::aid-jlcr4>3.0.co;2-3

  日期：1997.7

  Carbonation of CH3MgI with (CO2)-C-14 led to sodium [1-C-14] acetate: (1) under bar which was successively brominated and esterifed with diazomethane to give rise to methyl 2-bromo-[-1-C-14] acetate: (3) under bar, the reduction of which with H3Al gave 2-bromo-[-1-C-14] ethanol (4) under bar. (4) under bar was then reacted with NaCN; the intermediate 3-hydroxy-[-3-C-14] propionitrile (5) under bar was hydrolyzed with HCL at 130 degrees C into the corresponding acid: (6) under bar which was transformed into 3-chloro-[-3-C-14] propionyl chloride: (7) under bar;(7) under bar reacted with NaN3 gave 3-chloro-[-3-C-14] propyl azide: (8) under bar which by Curtius rearrangment led to 2-chloro-[-2-C-14] ethyl isocyanate: (9) under bar which finally was condensed with 4-t-butylaniline leading to the title compound (radiochemical purity 99%) in an overall yield of about 10% based on [C-14] barium carbonate.
• A convenient synthesis of [14C]1,1′-thiobis(2-chloroethane), [14C]sulfur mustard
  作者：A. Fidder、D. Noort、H. P. Benschop

  DOI：10.1002/(sici)1099-1344(199903)42:3<269::aid-jlcr186>3.0.co;2-0

  日期：1999.3

  The synthesis of [C-14]sulfur mustard is described, starting from bromo[1-C-14]acetic acid.