1-(3,4-dimethoxyphenyl)-1-hydroxy-propan-2-one | 13419-49-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-(3,4-dimethoxyphenyl)-1-hydroxy-propan-2-one
• 英文别名: 1-(3,4-dimethoxy-phenyl)-1-hydroxy-acetone；1-(3,4-Dimethoxy-phenyl)-1-hydroxy-aceton；1-Hydroxy-1-<3,4-dimethoxy-phenyl>-aceton；1.2-Dimethoxy-4-(1-hydroxy-acetonyl)-benzol；1-(3,4-Dimethoxyphenyl)-1-hydroxypropan-2-one
• CAS: 13419-49-3；38007-16-8
• 化学式: C₁₁H₁₄O₄
• 分子量: 210.23
• InChiKey: MFVNSYUPVMVNRT-UHFFFAOYSA-N

物化性质

• 沸点：
  332.8±42.0 °C(Predicted)
• 密度：
  1.154±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(3,4-dimethoxyphenyl)-1-hydroxy-propan-2-one 在 manganese(IV) oxide 作用下， 以 丙酮 为溶剂， 生成 1-(3,4-dimethoxyphenyl)propane-1,2-dione
  参考文献：
  名称：

  Adler,E.; Becker,H.-D., Acta Chemica Scandinavica (1947), 1961, vol. 15, p. 849 - 852

  摘要：

  DOI：
• 作为产物：
  描述：

  1-bromo-1-(3',4'-methoxyphenyl)propan-2-one 在 水 、 potassium acetate 作用下， 生成 1-(3,4-dimethoxyphenyl)-1-hydroxy-propan-2-one
  参考文献：
  名称：

  Studies on Lignin and Related Compounds. LXXIV. Relation of Wood Ethanolysis Products to the Hibbert Series of Plant Respiratory Catalysts. Allylic and Dismutation Rearrangements of 3-Chloro-1-(3,4-dimethoxyphenyl)-2-propanone and 1-Bromo-1-(3,4-dimethoxyphenyl)-2-propanone

  摘要：

  DOI：

  10.1021/ja01229a009

文献信息

• PPh₃·HBr–DMSO: A Reagent System for Diverse Chemoselective Transformations
  作者：Kanchan Mal、Amanpreet Kaur、Fazle Haque、Indrajit Das

  DOI：10.1021/acs.joc.5b00846

  日期：2015.6.19

  The broad applicability of the hitherto unexplored reagent combination PPh3 center dot HBr-DMSO is exemplified with multiple highly diverse one-step transformations to synthetically useful building blocks, such as flavones, 4H-thiochromen-4-ones, alpha-hydroxy ketones, 1,4-naphthoquinones (including vitamin K-3), 2-bromo-3-substituted-1H-1-indenones, 2-rnethylthio-1H-1-indenones, 3-butyne-1,2-dione, and 4-pentene-2,3-diones. The simple and mild reaction conditions make the reagent superior in terms of yield and substrate scope in comparison with the existing alternatives.
• EHNOMIYA, TAKUDZI;SIRAISI, YASUSI
  作者：EHNOMIYA, TAKUDZI、SIRAISI, YASUSI

  DOI：——

  日期：——
• NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT
  申请人：SNU R&DB FOUNDATION

  公开号：US20160340331A1

  公开（公告）日：2016-11-24

  A compound inhibiting Hsp90 and a pharmaceutical composition including the same as an active ingredient are described, which compound is represented by formula 2 and suppresses the expression of Hsp90, inhibits the accumulation of HIF-1α, the Hsp90 client protein, and efficiently inhibits the activation of VEGF. The compound displays low cytotoxicity and can be effectively used as an active ingredient of an anti-cancer agent, a diabetic retinopathy treating agent, and an anti-arthritic agent.
• US9745280B2
  申请人：——

  公开号：US9745280B2

  公开（公告）日：2017-08-29
• Studies on Lignin and Related Compounds. LXXIV. Relation of Wood Ethanolysis Products to the Hibbert Series of Plant Respiratory Catalysts. Allylic and Dismutation Rearrangements of 3-Chloro-1-(3,4-dimethoxyphenyl)-2-propanone and 1-Bromo-1-(3,4-dimethoxyphenyl)-2-propanone
  作者：Arthur M. Eastham、H. E. Fisher、Marshall Kulka、Harold Hibbert

  DOI：10.1021/ja01229a009

  日期：1944.1