1,2-dimethoxy-4-acetyl-5-chlorobenzene | 161199-98-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,2-dimethoxy-4-acetyl-5-chlorobenzene
• 英文别名: 1-(2-chloro-4,5-dimethoxyphenyl)-1-ethanone；1-(2-Chloro-4,5-dimethoxyphenyl)ethanone
• CAS: 161199-98-0
• 化学式: C₁₀H₁₁ClO₃
• mdl: MFCD07339247
• 分子量: 214.649
• InChiKey: RUCCUAPEVQWYOP-UHFFFAOYSA-N

物化性质

• 沸点：
  289.5±35.0 °C(Predicted)
• 密度：
  1.186±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,2-dimethoxy-4-acetyl-5-chlorobenzene 在 盐酸 、 甲酸 作用下， 反应 6.0h， 生成 1-(2-chloro-4,5-dimethoxyphenyl)ethylamine
  参考文献：
  名称：

  Synthesis and anti-inflammatory activity of 1-acylaminoalkyl-3,4-dialkoxybenzene derivatives

  摘要：

  New 1-acylaminoalkyl-3,4-dialkoxybenzene derivatives 17-31 were synthesized by the acylation of amines 9-16 with acyl chlorides. Amines 9-16 were obtained from aryl ketones 1-8. Aryl ketones 1-8 were synthesized by the acylation of corresponding aromatic compounds. As it was preliminary predicted by PASS (Prediction of Activity Spectra for Substance) program, all 1-acylaminoalkyl-3,4-dimethoxy- and 3,4-diethoxybenzene derivatives possess anti-inflammatory activity. Activity of compounds 18, 19, 21, 24, 26, 27, 28, 29 was similar to that of acetylsalicylic acid or ibuprofen however their acute toxicity was less than that of mentioned anti-inflammatory drugs. A series of 1-acylaminoalkyl-3,4-dimethoxybenzene, 1-acylaminoalkyl-3,4-diethoxybenzene and 6-acylaminoalkyl-2,3-dihydro-1,4-benzodioxine derivatives have been synthesized. These compounds possess moderate or strong anti-inflammatory activity and low toxicity.

  DOI：

  10.1016/j.farmac.2004.12.003
• 作为产物：
  描述：

  4-氯-1,2-二甲氧基苯 、 乙酰氯 在 三氯化铝 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 5.0h， 以67%的产率得到1,2-dimethoxy-4-acetyl-5-chlorobenzene
  参考文献：
  名称：

  Dauksas; Gaidelis; Udrenaite, Arzneimittel-Forschung/Drug Research, 1994, vol. 44, # 7, p. 835 - 839

  摘要：

  DOI：

文献信息

• 8-Substituted isoquinoline derivative and the use thereof
  申请人：Kaneko Shunsuke

  公开号：US20100261701A1

  公开（公告）日：2010-10-14

  The present invention relates to a compound represented by the following formula (1): wherein D 1 , A 1 , D 2 , R 1 , D 3 , and R 2 each have the same meaning as defined in the present specification or a salt thereof. The compound represented by the formula (1) or a salt thereof has an IKKβ inhibiting activity and the like and is useful for the prevention and/or treatment of IKKβ-associated diseases or symptoms and the like.

  本发明涉及一种由以下式（1）表示的化合物： 其中D1，A1，D2，R1，D3和R2分别具有与本说明书中定义的相同含义或其盐。由式（1）表示的化合物或其盐具有IKKβ抑制活性等，对于预防和/或治疗IKKβ相关疾病或症状等方面是有用的。
• US8299055B2
  申请人：——

  公开号：US8299055B2

  公开（公告）日：2012-10-30
• [EN] 8-SUBSTITUTED ISOQUINOLINE DERIVATIVE AND USE THEREOF<br/>[FR] DÉRIVÉ D'ISOQUINOLÉINE SUBSTITUÉ EN POSITION 8 ET SON UTILISATION
  申请人：ASAHI KASEI PHARMA CORP

  公开号：WO2010038465A1

  公开（公告）日：2010-04-08

  　本発明は、下記式（１）： ［式（１）中、Ｄ１、Ａ１、Ｄ２、Ｒ１、Ｄ３及びＲ２は、それぞれ、本明細書中で定義される通りである］で示される化合物又はその塩に関する。式（１）で示される化合物又はその塩は、ＩＫＫβ阻害活性等を有し、ＩＫＫβに関連する疾患又は症状の予防及び／又は治療等に有用である。
• Synthesis and anti-inflammatory activity of 1-acylaminoalkyl-3,4-dialkoxybenzene derivatives
  作者：L. Labanauskas、A. Brukstus、E. Udrenaite、V. Bucinskaite、I. Susvilo、G. Urbelis

  DOI：10.1016/j.farmac.2004.12.003

  日期：2005.3

  New 1-acylaminoalkyl-3,4-dialkoxybenzene derivatives 17-31 were synthesized by the acylation of amines 9-16 with acyl chlorides. Amines 9-16 were obtained from aryl ketones 1-8. Aryl ketones 1-8 were synthesized by the acylation of corresponding aromatic compounds. As it was preliminary predicted by PASS (Prediction of Activity Spectra for Substance) program, all 1-acylaminoalkyl-3,4-dimethoxy- and 3,4-diethoxybenzene derivatives possess anti-inflammatory activity. Activity of compounds 18, 19, 21, 24, 26, 27, 28, 29 was similar to that of acetylsalicylic acid or ibuprofen however their acute toxicity was less than that of mentioned anti-inflammatory drugs. A series of 1-acylaminoalkyl-3,4-dimethoxybenzene, 1-acylaminoalkyl-3,4-diethoxybenzene and 6-acylaminoalkyl-2,3-dihydro-1,4-benzodioxine derivatives have been synthesized. These compounds possess moderate or strong anti-inflammatory activity and low toxicity.
• Dauksas; Gaidelis; Udrenaite, Arzneimittel-Forschung/Drug Research, 1994, vol. 44, # 7, p. 835 - 839
  作者：Dauksas、Gaidelis、Udrenaite、Kuliesius、Labanauskas

  DOI：——

  日期：——