(E)-2-(3-phenylprop-1-enyl)benzoic acid | 1351765-43-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: (E)-2-(3-phenylprop-1-enyl)benzoic acid
• CAS: 1351765-43-9
• 化学式: C₁₆H₁₄O₂
• 分子量: 238.286
• InChiKey: FXXYXZOUNRYRMF-IZZDOVSWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.64
• 重原子数：
  18.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  37.3
• 氢给体数：
  1.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  (E)-2-(3-phenylprop-1-enyl)benzoic acid 在 氯化亚砜 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 17.08h， 生成 (E)-N-phenyl-2-(3-phenylprop-1-enyl)benzamide
  参考文献：
  名称：

  Regioselective Pd-Catalyzed Aerobic Aza-Wacker Cyclization for Preparation of Isoindolinones and Isoquinolin-1(2H)-ones

  摘要：

  A switchable regioselective intramolecular aerobic aza-Wacker cyclization catalyzed by palladium is presented. Isolndollnones or isoquinolin1(2H)-ones could be prepared selectively from the same substrates using different catalysts. The type and steric hindrance of the ligands may be the variables most significant for regiocontrol.

  DOI：

  10.1021/ol203043h
• 作为产物：
  描述：

  3-羟基异苯并呋喃-1(3H)-酮 、 苯乙基三苯基鏻溴化物 在 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 反应 26.16h， 以64%的产率得到(E)-2-(3-phenylprop-1-enyl)benzoic acid
  参考文献：
  名称：

  Regioselective Pd-Catalyzed Aerobic Aza-Wacker Cyclization for Preparation of Isoindolinones and Isoquinolin-1(2H)-ones

  摘要：

  A switchable regioselective intramolecular aerobic aza-Wacker cyclization catalyzed by palladium is presented. Isolndollnones or isoquinolin1(2H)-ones could be prepared selectively from the same substrates using different catalysts. The type and steric hindrance of the ligands may be the variables most significant for regiocontrol.

  DOI：

  10.1021/ol203043h

文献信息

• BIARYL DERIVATIVE
  申请人：Shionogi Co., Ltd.

  公开号：EP1798224A1

  公开（公告）日：2007-06-20

  The present invention provides a compound represented by the formula (I): wherein X1 is N or CR2, X2 is N or CR4, R1 to R6 are each independently hydrogen, halogen, lower alkyl, lower alkoxy etc., a broken line is a single bond or a double bond etc., Y is COORA, CONHB(CRCRD)PCOORA, CONRERF, CONRB(CRCRD)pCONRERF etc., RA to RF, RH and RJ are each independently hydrogen, lower alkyl etc., RG is lower alkyl, aryl heterocycle etc., p is 1 or 2, ring A is optionally substituted phenyl, optionally substituted indolyl etc., X3 is O, S or NR13, X4 is CR7 or N, X5 is CR8 or N, X6 is CR9 or N, X7 is CR10 or N, R7 to R12 are each independently hydrogen, halogen, lower alkyl etc., R13 and R14 are each independently hydrogen, lower alkyl etc., W is hydrogen, lower alkyl, NR15R16 etc., and R15 to R21 are each independently hydrogen, lower alkyl etc.), or a pharmaceutically acceptable salt or a solvate thereof, and a pharmaceutical composition containing them.

  本发明提供了一种由式 (I) 表示的化合物： 其中X1是N或CR2，X2是N或CR4，R1至R6各自独立地是氢、卤素、低级烷基、低级烷氧基等，断线是单键或双键等，Y是COORA、CONHB(CRCRD)PCOORA、CONRERF、CONRB(CRCRD)pCONRERF等，RA至RF、RH和RJ各自独立地是氢、低级烷基等，RG是低级烷基、芳基杂环等、p 是 1 或 2，环 A 是任选取代的苯基、任选取代的吲哚基等，X3 是 O、S 或 NR13，X4 是 CR7 或 N，X5 是 CR8 或 N，X6 是 CR9 或 N，X7 是 CR10 或 N，R7 至 R12 各自独立地是氢、卤素、低级烷基等，R13 和 R14 各自独立地是氢、低级烷基等，W 是氢、低级烷基、NR15R16 等，R15 至 R21 各自独立地是氢、低级烷基等、） 或其药学上可接受的盐或溶液，以及含有它们的药物组合物。
• Biaryl Derivatives
  申请人：Kugimiya Akira

  公开号：US20070299114A1

  公开（公告）日：2007-12-27

  The present invention provides a compound represented by the formula (I): wherein X 1 is N or CR 2 , X 2 is N or CR 4 , R 1 to R 6 are each independently hydrogen, halogen, lower alkyl, lower alkoxy etc., a broken line is a single bond or a double bond etc., Y is COOR A , CONHB(CR C R D )pCOOR A , CONR E R F , CONR B (CR C R D ) p CONR E R F etc., R A to R F , R H and R J are each independently hydrogen, lower alkyl etc., R G is lower alkyl, aryl heterocycle etc., p is 1 or 2, ring A is optionally substituted phenyl, optionally substituted indolyl etc., X 3 is O, S or NR 13 , X 4 is CR 7 or N, X 5 is CR 8 or N, X 6 is CR 9 or N, X 7 is CR 10 or N, R 7 to R 12 are each independently hydrogen, halogen, lower alkyl etc., R 13 and R 14 are each independently hydrogen, lower alkyl etc., W is hydrogen, lower alkyl, NR 15 R 16 etc., and R 15 to R 21 are each independently hydrogen, lower alkyl etc.), or a pharmaceutically acceptable salt or a solvate thereof, and a pharmaceutical composition containing them.
• Regioselective Pd-Catalyzed Aerobic Aza-Wacker Cyclization for Preparation of Isoindolinones and Isoquinolin-1(2<i>H</i>)-ones
  作者：Guoqiang Yang、Wanbin Zhang

  DOI：10.1021/ol203043h

  日期：2012.1.6

  A switchable regioselective intramolecular aerobic aza-Wacker cyclization catalyzed by palladium is presented. Isolndollnones or isoquinolin1(2H)-ones could be prepared selectively from the same substrates using different catalysts. The type and steric hindrance of the ligands may be the variables most significant for regiocontrol.