1-(4-氯苄氧基)-2-甲基苯 | 112944-93-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 1-(4-氯苄氧基)-2-甲基苯
• 英文名称: 1-(4-chlorobenzyloxy)-2-methylbenzene
• 英文别名: (4-chloro-benzyl)-o-tolyl ether；(4-Chlor-benzyl)-o-tolyl-aether；1-Chloro-4-[(2-methylphenoxy)methyl]benzene
• CAS: 112944-93-1
• 化学式: C₁₄H₁₃ClO
• mdl: MFCD01183118
• 分子量: 232.71
• InChiKey: ATARAQVYZXRMCZ-UHFFFAOYSA-N

物化性质

• 熔点：
  61-62 °C
• 沸点：
  331.2±22.0 °C(Predicted)
• 密度：
  1.149±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-(4-氯苄氧基)-2-甲基苯 在 磺酰氯 、 caesium carbonate 、 sodium iodide 、 Merrifield resin 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 52.42h， 生成 4-氯-2-甲基苯酚
  参考文献：
  名称：

  On the para-selective chlorination of ortho-cresol

  摘要：

  Merrifield-bound o-cresol undergoes electrophilic aromatic chlorination using SO2Cl2 leading to para/ortho ratios in excess of 50, the highest such ratio reported for this chlorinating agent. Model studies suggest that this significant para/ortho ratio results not just from steric effects but that considerable electronic influence can be detected. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(02)00996-1
• 作为产物：
  描述：

  2-甲基-1-苄氧基苯 在 磺酰氯 、 potassium carbonate 作用下， 以 二氯甲烷 、 丙酮 为溶剂， 反应 0.42h， 生成 1-(4-氯苄氧基)-2-甲基苯
  参考文献：
  名称：

  On the para-selective chlorination of ortho-cresol

  摘要：

  Merrifield-bound o-cresol undergoes electrophilic aromatic chlorination using SO2Cl2 leading to para/ortho ratios in excess of 50, the highest such ratio reported for this chlorinating agent. Model studies suggest that this significant para/ortho ratio results not just from steric effects but that considerable electronic influence can be detected. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(02)00996-1

文献信息

• AZOLYLMETHYLIDENEHYDRAZINE DERIVATIVE AND USE THEREOF
  申请人：Ogura Hironobu

  公开号：US20100190754A1

  公开（公告）日：2010-07-29

  An azolylmethylidenehydrazine derivative represented by the formula (I) wherein Ar is an aryl group optionally having substituent(s) or a heteroaryl group optionally having substituent(s), R 1 and R 2 are the same or different and each is an alkyl group, a cycloalkyl group, an aralkyl group optionally having substituent(s), an aryl group optionally having substituent(s), a heteroarylalkyl group optionally having substituent(s), or R 1 and R 2 are bonded to each other to form a nitrogen-containing heterocyclic group optionally having substituent(s), and X is CH or a nitrogen atom, or a pharmacologically acceptable salt thereof is useful as a medicament, particularly as an antifungal agent, or an anti-inflammatory agent or an antiallergic agent.

  一种以式(I)表示的氮杂环甲基亚唑啉衍生物，其中Ar是一个芳基基团，可选择地具有取代基，或者是一个杂芳基基团，可选择地具有取代基；R1和R2相同或不同，每个都是一个烷基基团、环烷基基团、可选择地具有取代基的芳基烷基基团、可选择地具有取代基的芳基基团、可选择地具有取代基的杂芳基烷基基团，或者R1和R2彼此连接形成一个可选择地具有取代基的含氮杂环基团；X是CH或氮原子；或其药学上可接受的盐，可用作药物，特别是作为抗真菌药物、抗炎药物或抗过敏药物。
• AZOLYLMETHYLENEHYDRAZINE DERIVATIVE AND USE THEREOF
  申请人：KAKEN PHARMACEUTICAL CO., LTD.

  公开号：EP2168951A1

  公开（公告）日：2010-03-31

  An azolylmethylidenehydrazine derivative represented by the formula (I) wherein Ar is an aryl group optionally having substituent(s), a heteroaryl group optionally having substituent(s) or a heteroaryl group optionally having substituent(s), R1 and R2 are the same or different and each is an alkyl group, a cycloalkyl group, an aralkyl group optionally having substituent(s), an aryl group optionally having substituent(s), a heteroarylalkyl group optionally having substituent(s), or R1 and R2 are bonded to each other to form a nitrogen-containing heterocyclic group optionally having substituent(s), and X is CH or a nitrogen atom, or a pharmacologically acceptable salt thereof is useful as a medicament, particularly as an antifungal agent, or an anti-inflammatory agent or an antiallergic agent.

  由式 (I) 代表的偶氮亚甲基肼衍生物 其中 Ar 是可选具有取代基的芳基、可选具有取代基的杂芳基或可选具有取代基的杂芳基、 R1 和 R2 相同或不同，且各自为烷基、环烷基、任选具有取代基的芳烷基、任选具有取代基的芳基、任选具有取代基的杂芳基，或 R1 和 R2 相互键合形成任选具有取代基的含氮杂环基，且 X 为 CH 或氮原子、 或其药理上可接受的盐可用作药物，特别是抗真菌剂、抗炎剂或抗过敏剂。
• Brǎtulescu, George; Bigot, Yves L.E.; Delmas, Michel, Revue Roumaine de Chimie, 1998, vol. 43, # 4, p. 321 - 326
  作者：Brǎtulescu, George、Bigot, Yves L.E.、Delmas, Michel、Pogany, Iuliu

  DOI：——

  日期：——
• CHEN JICHOU; DAI YUJIA; WANG LANFANG; NIU JUNKAI; CHEN SHUFEN, CHEM. J. CHIN. UNIV., 8,(1987) N 3, 240-242
  作者：CHEN JICHOU、 DAI YUJIA、 WANG LANFANG、 NIU JUNKAI、 CHEN SHUFEN

  DOI：——

  日期：——
• US7494537B2
  申请人：——

  公开号：US7494537B2

  公开（公告）日：2009-02-24