4-氯-苯并环丁烯 | 1004-06-4

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 芳基卤化物
• 中文名称: 4-氯-苯并环丁烯
• 英文名称: 4-Chlor-benzocyclobuten
• 英文别名: 3-Chlorobicyclo[4.2.0]octa-1(6),2,4-triene
• CAS: 1004-06-4
• 化学式: C₈H₇Cl
• 分子量: 138.597
• InChiKey: VUQDGBDYODWELO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  苯并环丁烯 在 碘 、 氯 作用下， 以 溶剂黄146 为溶剂， 生成 4-氯-苯并环丁烯
  参考文献：
  名称：

  苯并环丁烯的亲电取代反应-II：苯甲酰化，磺化，溴化和氯化

  摘要：

  苯并环丁烯的苄基化反应产生β-苯乙基氯，2'-（2-氯乙基）-二苯甲酮和4-苯甲酰基苯并环丁烯，其比例取决于溶剂和催化剂。在苯并环丁烯产生大量氯乙基二苯甲酮的条件下，β-苯乙基氯不产生离散的苯甲酰化产物。使用二氧六环-三氧化硫配合物进行磺化，得到的β-羟乙基-苯-邻磺酸磺酸内酯和苯并环丁烯-4-磺酸约为等量。溴化，在碘的95％乙酸水溶液存在下，使4-溴苯并环丁烯（≈）86％由VPC估计，78％分离的）和ö-溴-β-苯乙基溴（≈）估计的13％，分离的11％）; 3-溴苯并环丁烯的收率（如果有的话）小于1·2％：类似地氯化得到4-氯苯并环丁烯（估计）的75％，分离出的69％，o-氯-β-苯乙基氯（≈）估计值的19％，分离出的13％）和乙酸盐（≈）估计值的4％）; 在3位的氯化程度上设定约1·5％的上限。检查了用已知化合物获得的取代的苯并环丁烯的相互转化。根据这些结果和先前报告的结果，提出了一些

  DOI：

  10.1016/s0040-4020(01)98264-x

文献信息

• [EN] NOVEL SUBSTITUTED N'-HYDROXYCARBAMIMIDOYL-1,2,5-OXADIAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS<br/>[FR] NOUVEAUX COMPOSÉS DE N'-HYDROXYCARBAMIMIDOYL -1,2,5-OXADIAZOLE SUBSTITUÉS EN TANT QU'INHIBITEURS DE L'INDOLÉAMINE 2,3-DIOXYGÉNASE (IDO)
  申请人：MERCK SHARP & DOHME

  公开号：WO2018044663A1

  公开（公告）日：2018-03-08

  Disclosed herein is a compound of formula (I), or a pharmaceutically acceptable salt thereof: Formula (I). Also disclosed herein are uses of the compounds disclosed herein in the potential treatment or prevention of an IDO-associated disease or disorder. Also disclosed herein are compositions comprising a compound disclosed herein. Further disclosed herein are uses of the compositions in the potential treatment or prevention of an IDO-associated disease or disorder.

  本文揭示了化合物的化学式(I)，或其药学上可接受的盐：化学式(I)。本文还揭示了所述化合物在潜在治疗或预防IDO相关疾病或紊乱中的用途。本文还揭示了包含所述化合物的组合物。本文还揭示了所述组合物在潜在治疗或预防IDO相关疾病或紊乱中的用途。
• CORLEY, LARRY S.
  作者：CORLEY, LARRY S.

  DOI：——

  日期：——
• NOVEL SUBSTITUTED N'-HYDROXYCARBAMIMIDOYL-1,2,5-OXADIAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS
  申请人：Merck Sharp & Dohme Corp.

  公开号：EP3504185B1

  公开（公告）日：2021-11-24
• CROSS-LINKING POLYMER AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME
  申请人：IDEMITSU KOSAN CO., LTD.

  公开号：US20140231771A1

  公开（公告）日：2014-08-21

  A polymer including structural units represented by the following formulas (A) and (B). In the formula (A), P is a group derived from a compound represented by the formula (P). L 1 is a linkage group. In the formula (B), Q is a group derived from a compound represented by the formula (Q). L 2 is a linkage group. In the formula (B), at least one of “c”Qs and “d”L 2 s includes a cross-linkable group.
• HIGH MOLECULAR COMPOUND, ORGANIC ELECTROLUMINESCENCE ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE
  申请人：IDEMITSU KOSAN CO., LTD.

  公开号：US20180166632A1

  公开（公告）日：2018-06-14

  Provided is a high-molecular compound having a structural unit (A) and a structural unit (B) differing from each other, wherein the structural unit (A) is represented by the following general formula (A-1) and the structural unit (B) has a structure containing an arylene group or a heteroarylene group. The high-molecular compound can produce an organic EL device having a long lifetime, and is favorable as a forming material for organic EL devices. [In the formula, Ar A represents a linking group having a fluorene skeleton, L 1 , L 2 , Ar 1 and Ar 2 each are a predetermined group, at least one of Ar 1 and Ar 2 is a monovalent organic group represented by the following general formula (a). (In the formula, X represents a divalent group selected from —O—, —S—, —N(R x )—, etc., R 1 and R 2 each represent a substituent, p is an integer of 0 to 3, q is an integer of 0 to 4, and * indicates a bonding position to L 1 or L 2 .)]