2-ethyl-2-(2'-methoxybiphenyl-2-yl)butyronitrile | 219679-10-4

• 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: 2-ethyl-2-(2'-methoxybiphenyl-2-yl)butyronitrile
• 英文别名: 2-Ethyl-2-[2-(2-methoxyphenyl)phenyl]butanenitrile
• CAS: 219679-10-4
• 化学式: C₁₉H₂₁NO
• 分子量: 279.382
• InChiKey: ZCKYUMFOLUKRBH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  33
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-ethyl-2-(2'-methoxybiphenyl-2-yl)butyronitrile 在 platinum(IV) oxide 氢气 、 sodium hydride 、 二异丁基氢化铝 作用下， 以 四氢呋喃 、 乙醇 、 正己烷 、 甲苯 为溶剂， 反应 15.5h， 生成 4-ethyl-4-(2'-methoxybiphenyl-2-yl)hexanoic acid ethyl ester
  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 barium dihydroxide 、 四(三苯基膦)钯 、 正丁基锂 、 二异丙胺 作用下， 以 四氢呋喃 、 乙二醇二甲醚 、 乙醇 、 水 为溶剂， 反应 25.2h， 生成 2-ethyl-2-(2'-methoxybiphenyl-2-yl)butyronitrile
  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.