1-(氯甲基)-4,5-二甲氧基-2-甲基苯 | 7537-05-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-(氯甲基)-4,5-二甲氧基-2-甲基苯
• 英文名称: 1-(chloromethyl)-4,5-dimethoxy-2-methylbenzene
• CAS: 7537-05-5
• 化学式: C₁₀H₁₃ClO₂
• mdl: MFCD06655002
• 分子量: 200.665
• InChiKey: OXBVKIJNKCCFQN-UHFFFAOYSA-N

物化性质

• 沸点：
  286.6±35.0 °C(Predicted)
• 密度：
  1.106±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2909309090

反应信息

• 作为反应物：
  描述：

  1-(氯甲基)-4,5-二甲氧基-2-甲基苯 在 sodium tetrahydroborate 、 苄基三乙基氯化铵 、 三氟乙酸 作用下， 以 水 、 苯 为溶剂， 生成 2-Methyl-4.5-dimethoxyphenethylamin
  参考文献：
  名称：

  Photoreaction of Phthalimides Possessing an ortho-Methylphenyl Group in Their N-Side Chain. Synthesis of Tetracyclic Nitrogen Heterocycles

  摘要：

  DOI：

  10.3987/r-1987-10-2683
• 作为产物：
  描述：

  4,5-dimethoxy-2-methylbenzoic acid 在 氯化亚砜 、 dimethyl sulfide borane 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 0.5h， 生成 1-(氯甲基)-4,5-二甲氧基-2-甲基苯
  参考文献：
  名称：

  Total Synthesis and Biological Evaluation of an Antifungal Tricyclic o-Hydroxy-p-Quinone Methide Diterpenoid

  摘要：

  A convergent route has been developed to synthesize an antifungal tricyclic o-hydroxy-p-quinone methide diterpenoid and ana- logues. A Li/naphthalene-mediated reductive alkylation was employed for coupling beta-cyclocitral and the corresponding benzyl chloride, while a BBr3- mediated one-pot bis-demethylation and intramolecular Friedel Crafts alkylation was used to assemble the tricyclic molecular skeleton. The structure activity relationship of the diterpenoid was assessed on the basis of antiproliferation assays of the natural product and analogues against strains of pathogenic yeasts and filamentous fungi.

  DOI：

  10.1021/jo4013964

文献信息

• A facile synthesis of functionalized catechols
  作者：Chaozhong Li、Robert J. angelici

  DOI：10.1016/s0040-4039(98)00793-x

  日期：1998.6

  A general route to functionalized catechols is achieved by the reaction of 3,6-di(chloromethyl)-4,5-dimethyl-catechol with various nucleophiles in the presence of a base. The reactions are proposed to occur by way of a dehydrochlorinated intermediate which undergoes Michael additions to give the catechol products. (C) 1998 Elsevier Science Ltd. All rights reserved.
• Some Nuclear-Substituted Derivatives of α-Methyldopa¹
  作者：Anilkumar Parulkar、Alfred Burger、Dorothea Aures

  DOI：10.1021/jm00323a022

  日期：1966.9
• Photoreaction of Phthalimides Possessing an ortho-Methylphenyl Group in Their N-Side Chain. Synthesis of Tetracyclic Nitrogen Heterocycles
  作者：Minoru Machida、Mayumi Nakamura、Kazuaki Oda、Haruko Takechi、Kosei Ohno、Hideo Nakai、Yasuhiko Sato、Yuichi Kanaoka

  DOI：10.3987/r-1987-10-2683

  日期：——
• Total Synthesis and Biological Evaluation of an Antifungal Tricyclic <i>o</i>-Hydroxy-<i>p</i>-Quinone Methide Diterpenoid
  作者：Jinhua Huang、Dylan Foyle、Xiaorong Lin、Jiong Yang

  DOI：10.1021/jo4013964

  日期：2013.9.20

  A convergent route has been developed to synthesize an antifungal tricyclic o-hydroxy-p-quinone methide diterpenoid and ana- logues. A Li/naphthalene-mediated reductive alkylation was employed for coupling beta-cyclocitral and the corresponding benzyl chloride, while a BBr3- mediated one-pot bis-demethylation and intramolecular Friedel Crafts alkylation was used to assemble the tricyclic molecular skeleton. The structure activity relationship of the diterpenoid was assessed on the basis of antiproliferation assays of the natural product and analogues against strains of pathogenic yeasts and filamentous fungi.