Bibenzyl-4,4'-dicarboxylic acid dichloride | 119806-03-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: Bibenzyl-4,4'-dicarboxylic acid dichloride
• 英文别名: 1,2-bis(4-chloroformylphenyl)ethane；dibenzyl-4,4'-dicarbonyl chloride；bibenzyl-4,4'-dicarbonyl chloride；Bibenzyl-4,4'-dicarbonylchlorid；4-[2-(4-Carbonochloridoylphenyl)ethyl]benzoyl chloride
• CAS: 119806-03-0
• 化学式: C₁₆H₁₂Cl₂O₂
• 分子量: 307.176
• InChiKey: VMNHJHUVVXNBLE-UHFFFAOYSA-N

物化性质

• 熔点：
  119 °C
• 沸点：
  412.9±38.0 °C(Predicted)
• 密度：
  1.302±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  Bibenzyl-4,4'-dicarboxylic acid dichloride 在 lithium aluminium tetrahydride 、 氯化亚砜 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 4.0h， 生成 1,2-bis<4-(chloromethyl)phenyl>ethane
  参考文献：
  名称：

  Synthesis and Structure–Activity Analysis of New Phosphonium Salts with Potent Activity against African Trypanosomes

  摘要：

  A series of 73 bisphosphonium salts and 10 mono-phosphonium salt derivatives were synthesized and tested in vitro against several wild type and resistant lines of Trypanosoma brucei (T. b. rhodesiense STIB900, T. b. brucei strain 427, TbAT1-KO, and TbB48). More than half of the compounds tested showed a submicromolar EC50 against these parasites. The compounds did not display any cross-resistance to existing diamidine therapies, such as pentamidine. In most cases, the compounds displayed a good selectivity index versus human cell lines. None of the known T. b. brucei drug transporters were required for trypanocidal activity, although some of the bisphosphonium compounds inhibited the low affinity pentamidine transporter. It was found that phosphonium drugs act slowly to clear a trypanosome population but that only a short exposure time is needed for irreversible damage to the cells. A comparative molecular field analysis model (CoMFA) was generated to gain insights into the SAR of this class of compounds, identifying key features for trypanocidal activity.

  DOI：

  10.1021/jm2014259
• 作为产物：
  描述：

  4,4'-(ethene-1,2-diyl)dibenzoic acid 在 氯化亚砜 作用下， 反应 24.0h， 生成 Bibenzyl-4,4'-dicarboxylic acid dichloride
  参考文献：
  名称：

  Synthese und Charakterisierung von Bisphenyl- und Biscyclohexyl-4,4?-bibenzyldicarboxylaten

  摘要：

  A one pot syntheses gives bisphenyl-4,4'-bi-benzyldicarboxylates (2) or biscyclohexyl-4,4'-bibenzyldicarboxylates (3) from bibenzyl (4) and phenols (5) or cyclohexanols (6). 20 compounds 2 and 3 with substituents in the p-position of the peripheric rings have been synthesized; liquid crystalline data are given.

  DOI：

  10.1002/prac.19933350403

文献信息

• POLYDIALKYLSILOXANE / POLYAMIDE COPOLYMER, PROCESS FOR PRODUCING THE SAME, AND VARIOUS MATERIALS
  申请人：NOF CORPORATION

  公开号：EP1116740A1

  公开（公告）日：2001-07-18

  A novel polydialkylsiloxane/polyamide copolymer which is excellent in biocompatibility, mechanical strength, and heat moldability, applicable for use in medical materials, ophthalmic materials, cosmetics, and electronic materials, and has a main chain represented by the formula (4), one end represented by the formula (5) and another end represented by the formula (6):         - (NH-A-NHCO-B-CO)m-     (4)         -NH-A-NH-X2     (5)         -X1     (6) wherein the ratio of -R1-(Si(R2) (R3)-O)n1-Si(R2) (R3)-R1-as A to the divalent organic group having 1 to 20 carbon atoms as A is within the range of 1:0.01 ∼ 100, and the proportion of X1 and X2 being hydrogen atoms is 10% or less relative to all the end groups, a process for producing the same, and a variety of its uses.

  一种新型聚二烷基硅氧烷/聚酰胺共聚物，具有优异的生物相容性、机械强度和热成型性，适用于医疗材料、眼科材料、化妆品和电子材料，其主链由式（4）表示，一端由式（5）表示，另一端由式（6）表示： - (NH-A-NHCO-B-CO)m- (4) -NH-A-NH-X2 (5) -X1 (6) 其中作为 A 的-R1-(Si(R2) (R3)-O)n1-Si(R2) (R3)-R1- 与作为 A 的具有 1 至 20 个碳原子的二价有机基团的比例在 1:0.01 ∼ 100 的范围内，且相对于所有末端基团，X1 和 X2 为氢原子的比例为 10%或更少，以及生产该物质的工艺及其各种用途。
• North; Urbach, Journal of the American Pharmaceutical Association (1912), 1956, vol. 45, p. 382
  作者：North、Urbach

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  作者：GILBERT J. SLOAN、WYMAN R. VAUGHAN

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  作者：Friedrich Boberg、Joachim Ku�erow、Enno M�ller、Wolfram Reddig

  DOI：10.1002/prac.19943360314

  日期：——
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  作者：Fischer,C.、Wolffenstein

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