4-ethyl-4-(2'-hydroxybiphenyl-2-yl)hexanoic acid | 219678-94-1

• 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: 4-ethyl-4-(2'-hydroxybiphenyl-2-yl)hexanoic acid
• 英文别名: 4-Ethyl-4-[2-(2-hydroxyphenyl)phenyl]hexanoic acid
• CAS: 219678-94-1
• 化学式: C₂₀H₂₄O₃
• 分子量: 312.409
• InChiKey: UOVKRCFXXPJFHA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  23
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-ethyl-4-(2'-hydroxybiphenyl-2-yl)hexanoic acid 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 16.0h， 以70%的产率得到12,12-Diethyl-8-oxatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaen-9-one
  参考文献：
  名称：

  Antimitotic agents interacting with tubulin: Synthesis and structure-activity relationships of novel ortho bridged biphenyls of the rhazinilam type

  摘要：

  Several new ortho bridged biphenyls mimicking the structure of (-)-rhazinilam were synthesized and evaluated as cytotoxic compounds and as inhibitors of microtubules disassembly. These included azadibenzo[a,c]cyclononene derivatives having an ester, urea or carbamate function present in the 9-membered ring linking the two phenyl moieties. The compound bearing a carbamate function instead of the amide group of rhazinilam interacts better with tubulin than (-) rhazinilam, (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(98)00903-x
• 作为产物：
  描述：

  2-碘苯基乙腈 在 platinum(IV) oxide barium dihydroxide 、 sodium hydroxide 、 四(三苯基膦)钯 、 正丁基锂 、 氢气 、 三溴化硼 、 sodium hydride 、 二异丁基氢化铝 、 二异丙胺 作用下， 以 四氢呋喃 、 甲醇 、 乙二醇二甲醚 、 乙醇 、 正己烷 、 二氯甲烷 、 水 、 甲苯 为溶剂， 反应 47.2h， 生成 4-ethyl-4-(2'-hydroxybiphenyl-2-yl)hexanoic acid
  参考文献：
  名称：

  Antimitotic agents interacting with tubulin: Synthesis and structure-activity relationships of novel ortho bridged biphenyls of the rhazinilam type

  摘要：

  Several new ortho bridged biphenyls mimicking the structure of (-)-rhazinilam were synthesized and evaluated as cytotoxic compounds and as inhibitors of microtubules disassembly. These included azadibenzo[a,c]cyclononene derivatives having an ester, urea or carbamate function present in the 9-membered ring linking the two phenyl moieties. The compound bearing a carbamate function instead of the amide group of rhazinilam interacts better with tubulin than (-) rhazinilam, (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(98)00903-x

文献信息

• Antimitotic agents interacting with tubulin: Synthesis and structure-activity relationships of novel ortho bridged biphenyls of the rhazinilam type
  作者：Cécile Pascal、Joëlle Dubois、Daniel Guénard、Luba Tchertanov、Sylviane Thoret、Françoise Guéritte

  DOI：10.1016/s0040-4020(98)00903-x

  日期：1998.12

  Several new ortho bridged biphenyls mimicking the structure of (-)-rhazinilam were synthesized and evaluated as cytotoxic compounds and as inhibitors of microtubules disassembly. These included azadibenzo[a,c]cyclononene derivatives having an ester, urea or carbamate function present in the 9-membered ring linking the two phenyl moieties. The compound bearing a carbamate function instead of the amide group of rhazinilam interacts better with tubulin than (-) rhazinilam, (C) 1998 Elsevier Science Ltd. All rights reserved.