4-isothiocyanato-4'-propyl-1,1'-biphenyl | 129045-72-3

• 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: 4-isothiocyanato-4'-propyl-1,1'-biphenyl
• 英文别名: 1-Isothiocyanato-4-(4-propylphenyl)benzene
• CAS: 129045-72-3
• 化学式: C₁₆H₁₅NS
• 分子量: 253.368
• InChiKey: AHPBUSLCEMEERH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  44.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-isothiocyanato-4'-propyl-1,1'-biphenyl 、 在 三乙胺 作用下， 以 二甲基亚砜 为溶剂， 反应 1.0h， 以64%的产率得到1-[[(1S,2R,3R,8R,8aR)-1,2,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]methyl]-3-[4-(4-propylphenyl)phenyl]thiourea
  参考文献：
  名称：

  [EN] POLYHYDROXYLATED INDOLIZIDINE AND PYRROLIZIDINE DERIVATIVES AND USES THEREOF
  [FR] DÉRIVÉS D'INDOLIZIDINE ET DE PYRROLIZIDINE POLYHYDROXYLÉS ET LEURS UTILISATIONS

  摘要：

  Disclosed herein are novel polyhydroxylated indolizidine and pyrrolizidine derivates and methods for using the same in the treatment of cancer. The present poly hydroxylated indolizidine and pyrrolizidine derivates has the structure of formula (I), wherein: X is 0 or S; a, b and c are independently an integral of 0 or 1; and R is selected from the group consisting of H, C1-6alkyl, alkenyl, alkynyl, and, heteroawl, cycloalkyl. cycloalkenyl, aralkyl, aralkenyl, aralkynyl, heteroaralkyl, heteroaralkenyl, heteroaralkynyl. heterocyclyl, alkoxy, aryloxy, and sulfonyl.

  公开号：

  WO2022197564A1

文献信息

• Liquid crystalline ethane derivatives, their preparation and the liquid crystal compositions containing same
  申请人：Wojskowa Akademia Techniczna im. Jaroslawa Dabrowskiego

  公开号：EP0227004B1

  公开（公告）日：1990-04-11
• Compound based on liquid crystals for making optoelectronic components and corresponding manufacturing process
  申请人：Gautier Pascal

  公开号：US20050194569A1

  公开（公告）日：2005-09-08

  This invention relates to a compound based on liquid crystals for making optoelectronic components. According to the invention, this compound comprises at least one cyanoester, at least one isothiocyanobiphenyl and at least one monomer.