4-氯-[1,1-联苯]-3-羧酸甲酯 | 886969-94-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-氯-[1,1-联苯]-3-羧酸甲酯
• 英文名称: methyl 4-chlorobiphenyl-3-carboxylate
• 英文别名: Methyl 2-chloro-5-phenylbenzoate
• CAS: 886969-94-4
• 化学式: C₁₄H₁₁ClO₂
• 分子量: 246.693
• InChiKey: UERIBTLVWAUSAH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2916399090

SDS

4-氯-[1,1-联苯]-3-羧酸甲酯MSDS英文版

反应信息

• 作为反应物：
  描述：

  4-氯-[1,1-联苯]-3-羧酸甲酯 在 盐酸 、 六甲基磷酰三胺 、 甲基锂 作用下， 以 四氢呋喃 为溶剂， 反应 2.17h， 生成 4-(4-Chloro-biphenyl-3-yl)-2,4-dioxo-butyric acid
  参考文献：
  名称：

  The identification and optimization of 2,4-diketobutyric acids as flap endonuclease 1 inhibitors

  摘要：

  There have been several recent reports of chemopotentiation via inhibition of DNA repair processes. Flap endonuclease 1 (FEN1) is a key enzyme involved in base excision repair (BER), a primary pathway utilized by mammalian cells to repair DNA damage. In this report, we describe the identification and SAR of a series of 2,4-diketobutyric acid FENI inhibitors. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.07.028
• 作为产物：
  描述：

  甲醇 、 一氧化碳 、 3,4-二氯联苯 在 甲醇 、 potassium tetracarbonylcobaltate 、 potassium carbonate 、 methyloxirane 、 氢氧化钾 、 氯化亚砜 作用下， 以 甲醇 为溶剂， 60.0 ℃ 、101.32 kPa 条件下， 以102 mg的产率得到4-氯-[1,1-联苯]-3-羧酸甲酯
  参考文献：
  名称：

  改性羰基钴催化的氯联苯羰基化

  摘要：

  Dichlorobiphenyls having both chlorine atoms in the same benzene ring undergo mild carbonylation in the presence of 1,2-epoxypropane-modified carbonyl cobalt complex to give biphenylcarboxylic acid esters. Monochlorobiphenyls fail to react under analogous conditions. The rate and selectivity of the reaction depend on the position of chlorine atoms. Carbonylation of dichlorobiphenyls having a chlorine atom in the meta position occurs preferentially at that position. 2,4-Dichlorobiphenyl gives rise mainly to the carbonylation product at the 2-position.

  DOI：

  10.1134/s1070428007120044

文献信息

• Carbonylation of chlorobiphenyls catalyzed by modified cobalt carbonyl
  作者：V. P. Boyarskii、T. E. Zhesko、K. E. Tvorogov

  DOI：10.1134/s1070428007120044

  日期：2007.12

  Dichlorobiphenyls having both chlorine atoms in the same benzene ring undergo mild carbonylation in the presence of 1,2-epoxypropane-modified carbonyl cobalt complex to give biphenylcarboxylic acid esters. Monochlorobiphenyls fail to react under analogous conditions. The rate and selectivity of the reaction depend on the position of chlorine atoms. Carbonylation of dichlorobiphenyls having a chlorine atom in the meta position occurs preferentially at that position. 2,4-Dichlorobiphenyl gives rise mainly to the carbonylation product at the 2-position.
• The identification and optimization of 2,4-diketobutyric acids as flap endonuclease 1 inhibitors
  作者：L. Nathan Tumey、Bayard Huck、Elizabeth Gleason、Jianmin Wang、Daniel Silver、Kurt Brunden、Sherry Boozer、Stephen Rundlett、Bruce Sherf、Steven Murphy、Andrew Bailey、Tom Dent、Christina Leventhal、John Harrington、Youssef L. Bennani

  DOI：10.1016/j.bmcl.2004.07.028

  日期：2004.10

  There have been several recent reports of chemopotentiation via inhibition of DNA repair processes. Flap endonuclease 1 (FEN1) is a key enzyme involved in base excision repair (BER), a primary pathway utilized by mammalian cells to repair DNA damage. In this report, we describe the identification and SAR of a series of 2,4-diketobutyric acid FENI inhibitors. (C) 2004 Elsevier Ltd. All rights reserved.