1-(5-chloro-3',4'-dimethoxy-[1,1'-biphenyl]-2-yl)guanidine hydrochloride | 1403963-14-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-(5-chloro-3',4'-dimethoxy-[1,1'-biphenyl]-2-yl)guanidine hydrochloride
• 英文别名: 2-[4-Chloro-2-(3,4-dimethoxyphenyl)phenyl]guanidine;hydrochloride；2-[4-chloro-2-(3,4-dimethoxyphenyl)phenyl]guanidine;hydrochloride
• CAS: 1403963-14-3
• 化学式: C₁₅H₁₆ClN₃O₂*ClH
• 分子量: 342.225
• InChiKey: HVRPNCBWRINBKA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.35
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  82.9
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  对氯苯胺 在 盐酸 、 dipotassium peroxodisulfate 、 palladium diacetate 、 三氟乙酸 作用下， 以 水 为溶剂， 反应 55.0h， 生成 1-(5-chloro-3',4'-dimethoxy-[1,1'-biphenyl]-2-yl)guanidine hydrochloride
  参考文献：
  名称：

  Palladium-Catalyzed C–H Functionalization Using Guanidine as a Directing Group: Ortho Arylation and Olefination of Arylguanidines

  摘要：

  Palladium-catalyzed C-H functionalization using guanidine as the directing group was achieved under mild reaction conditions. Various guanidine derivatives were produced in moderate to good yields by using simple unactivated arenes or ethyl acrylate as the source of arylation or olefination, respectively.

  DOI：

  10.1021/ol302533w

文献信息

• Palladium-Catalyzed C–H Functionalization Using Guanidine as a Directing Group: Ortho Arylation and Olefination of Arylguanidines
  作者：Jiaan Shao、Wenteng Chen、Marc A. Giulianotti、Richard A. Houghten、Yongping Yu

  DOI：10.1021/ol302533w

  日期：2012.11.2

  Palladium-catalyzed C-H functionalization using guanidine as the directing group was achieved under mild reaction conditions. Various guanidine derivatives were produced in moderate to good yields by using simple unactivated arenes or ethyl acrylate as the source of arylation or olefination, respectively.