1-(羟甲基)-3-甲基萘 | 77028-93-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 1-(羟甲基)-3-甲基萘
• 英文名称: 1-(hydroxymethyl)-3-methylnaphthalene
• 英文别名: (3-Methyl-naphthalen-1-yl)-methanol；(3-methylnaphthalen-1-yl)methanol
• CAS: 77028-93-4
• 化学式: C₁₂H₁₂O
• 分子量: 172.227
• InChiKey: RNROUGVAYCPUCR-UHFFFAOYSA-N

物化性质

• 熔点：
  79-80 °C(Solv: benzene (71-43-2))
• 沸点：
  332.9±11.0 °C(Predicted)
• 密度：
  1.120±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-(羟甲基)-3-甲基萘 在 三溴化磷 作用下， 以 乙醚 为溶剂， 反应 3.0h， 以70%的产率得到1-(溴甲基)-3-甲基萘
  参考文献：
  名称：

  Synthesis of angular ring methoxy-5-methylchrysenes and 5-methylchrysenols

  摘要：

  DOI：

  10.1021/jo00324a039
• 作为产物：
  描述：

  3-甲基萘-1-甲醛 在 sodium tetrahydroborate 作用下， 以 四氢呋喃 为溶剂， 生成 1-(羟甲基)-3-甲基萘
  参考文献：
  名称：

  Palladium-Catalyzed Amination of Chloromethylnaphthalene and Chloromethylanthracene Derivatives with Various Amines

  摘要：

  Palladium-catalyzed amination of chloromethylnaphthalene and chloromethylanthracene derivatives to produce naphthylamines and anthrylamines in satisfactory to good yields has been developed. The unprecedented amination reactions proceeded smoothly under mild conditions in the presence of Pd(PPh3)(4) as a catalyst.

  DOI：

  10.1021/ja300164d

文献信息

• Therapeutic compounds and uses thereof
  申请人：GENENTECH, INC.

  公开号：US10280149B2

  公开（公告）日：2019-05-07

  The present invention relates to compounds useful as inhibitors of one or more histone demethylses, such as KDM2b. The invention also provides pharmaceutically acceptable compositions comprising compounds of the present invention and methods of using said compositions in the treatment of various disorders.

  本发明涉及可作为一种或多种组蛋白去甲基化抑制剂（如 KDM2b）的化合物。本发明还提供了包含本发明化合物的药学上可接受的组合物，以及使用所述组合物治疗各种疾病的方法。
• AMIN S.; HECHT S. S.; HOFFMANN D., J. ORG. CHEM., 1981, 46, NO 11, 2394-2398
  作者：AMIN S.、 HECHT S. S.、 HOFFMANN D.

  DOI：——

  日期：——
• THERAPEUTIC COMPOUNDS AND USES THEREOF
  申请人：GENENTECH, INC.

  公开号：US20180022727A1

  公开（公告）日：2018-01-25

  The present invention relates to compounds useful as inhibitors of one or more histone demethylses, such as KDM2b. The invention also provides pharmaceutically acceptable compositions comprising compounds of the present invention and methods of using said compositions in the treatment of various disorders.
• Synthesis of angular ring methoxy-5-methylchrysenes and 5-methylchrysenols
  作者：Shantu Amin、Stephen S. Hecht、Dietrich Hoffman

  DOI：10.1021/jo00324a039

  日期：1981.5
• Palladium-Catalyzed Amination of Chloromethylnaphthalene and Chloromethylanthracene Derivatives with Various Amines
  作者：Sheng Zhang、Yi Wang、Xiujuan Feng、Ming Bao

  DOI：10.1021/ja300164d

  日期：2012.3.28

  Palladium-catalyzed amination of chloromethylnaphthalene and chloromethylanthracene derivatives to produce naphthylamines and anthrylamines in satisfactory to good yields has been developed. The unprecedented amination reactions proceeded smoothly under mild conditions in the presence of Pd(PPh3)(4) as a catalyst.