(1R,4R,4aS,8aR)-1-(1-Bromomethyl-vinyl)-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydro-naphthalene | 354575-67-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: (1R,4R,4aS,8aR)-1-(1-Bromomethyl-vinyl)-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydro-naphthalene
• 英文别名: (1R,4R,4aS,8aR)-1-(3-bromoprop-1-en-2-yl)-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene
• CAS: 354575-67-0
• 化学式: C₁₅H₂₃Br
• 分子量: 283.252
• InChiKey: QUAIDNCXYJSPPT-UNQGMJICSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  (1R,4R,4aS,8aR)-1-(1-Bromomethyl-vinyl)-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydro-naphthalene 在 sodium hydroxide 、 9-borabicyclo[3.3.1]nonane dimer 、 双氧水 作用下， 生成 13-bromodeoxoartemisinin
  参考文献：
  名称：

  First synthesis of (+)-deoxoartemisitene and its novel C-11 derivatives

  摘要：

  A short, regiospecific and first synthesis of (+)-deoxoartemisitene and its novel C-11 derivatives with non-acetal at C-12 was achieved from artemisinic acid. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(01)00641-4
• 作为产物：
  描述：

  methyl artemisinate 在 四溴化碳 、 焦磷酸硫胺素 、 二异丁基氢化铝 作用下， 以 二氯甲烷 为溶剂， 生成 (1R,4R,4aS,8aR)-1-(1-Bromomethyl-vinyl)-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydro-naphthalene
  参考文献：
  名称：

  First synthesis of (+)-deoxoartemisitene and its novel C-11 derivatives

  摘要：

  A short, regiospecific and first synthesis of (+)-deoxoartemisitene and its novel C-11 derivatives with non-acetal at C-12 was achieved from artemisinic acid. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(01)00641-4

文献信息

• First synthesis of (+)-deoxoartemisitene and its novel C-11 derivatives
  作者：Mankil Jung、Kyunghoon Lee、Hochul Jung

  DOI：10.1016/s0040-4039(01)00641-4

  日期：2001.6

  A short, regiospecific and first synthesis of (+)-deoxoartemisitene and its novel C-11 derivatives with non-acetal at C-12 was achieved from artemisinic acid. (C) 2001 Elsevier Science Ltd. All rights reserved.