2-chloromethyl-5-bromo-4,7-dichlorobenzoxazole | 205653-35-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶唑类
• 英文名称: 2-chloromethyl-5-bromo-4,7-dichlorobenzoxazole
• 英文别名: 5-Bromo-4,7-dichloro-2-(chloromethyl)-1,3-benzoxazole
• CAS: 205653-35-6
• 化学式: C₈H₃BrCl₃NO
• 分子量: 315.381
• InChiKey: BOOOWMYFAKREII-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  26
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-chloromethyl-5-bromo-4,7-dichlorobenzoxazole 在 palladium on activated charcoal 氢气 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 乙醇 、 乙腈 为溶剂， 反应 3.0h， 生成 3-{[(4,7-dichlorobenzoxazol-2-yl)methyl]amino}-5-ethyl-6-methyl-2-(1H)-pyridinone
  参考文献：
  名称：

  The synthesis of several tritiated non-nucleoside, HIV-1 reverse transcriptase inhibitors

  摘要：

  The synthesis of three tritiated reverse transcriptase inhibitors is described herein. These compounds contained the benzoxazole ring linked to a 2-pyridinone ring by an aminomethylene group. The tritiated compounds were synthesized by hydrogenolysis of bromobenzoxazole precursors. The final tritiated compounds had specific activities ranging from 3-10 Ci/mmol.

  DOI：

  10.1002/(sici)1099-1344(199804)41:4<319::aid-jlcr84>3.0.co;2-s
• 作为产物：
  描述：

  2-氯-1-乙氧基乙胺 、 4-bromo-3,6-dichloro-2-nitrophenol 以 二氯甲烷 为溶剂， 以73%的产率得到2-chloromethyl-5-bromo-4,7-dichlorobenzoxazole
  参考文献：
  名称：

  The synthesis of several tritiated non-nucleoside, HIV-1 reverse transcriptase inhibitors

  摘要：

  The synthesis of three tritiated reverse transcriptase inhibitors is described herein. These compounds contained the benzoxazole ring linked to a 2-pyridinone ring by an aminomethylene group. The tritiated compounds were synthesized by hydrogenolysis of bromobenzoxazole precursors. The final tritiated compounds had specific activities ranging from 3-10 Ci/mmol.

  DOI：

  10.1002/(sici)1099-1344(199804)41:4<319::aid-jlcr84>3.0.co;2-s

文献信息

• The synthesis of several tritiated non-nucleoside, HIV-1 reverse transcriptase inhibitors
  作者：Terence G. Hamill、Nancy J. Brenner、Wai-si Eng、H. Donald Burns

  DOI：10.1002/(sici)1099-1344(199804)41:4<319::aid-jlcr84>3.0.co;2-s

  日期：1998.4

  The synthesis of three tritiated reverse transcriptase inhibitors is described herein. These compounds contained the benzoxazole ring linked to a 2-pyridinone ring by an aminomethylene group. The tritiated compounds were synthesized by hydrogenolysis of bromobenzoxazole precursors. The final tritiated compounds had specific activities ranging from 3-10 Ci/mmol.