1-(2-chloro-4-methoxy-5-methyl-phenyl)-ethanone | 412021-93-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(2-chloro-4-methoxy-5-methyl-phenyl)-ethanone
• 英文别名: 1-(2-Chlor-4-methoxy-5-methyl-phenyl)-aethanon；1-(2-Chloro-4-methoxy-5-methylphenyl)ethanone
• CAS: 412021-93-3
• 化学式: C₁₀H₁₁ClO₂
• mdl: MFCD08276485
• 分子量: 198.649
• InChiKey: GXFZCQXDIPDQAC-UHFFFAOYSA-N

物化性质

• 熔点：
  45.5-46 °C
• 沸点：
  158-160 °C(Press: 18 Torr)
• 密度：
  1.146±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：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(2-chloro-4-methoxy-5-methyl-phenyl)-ethanone 在 盐酸 、 甲醇 、 sodium methylate 作用下， 生成 3-[5-(2-chloro-4-methoxy-5-methyl-phenyl)-[2]furyl]-propionic acid
  参考文献：
  名称：

  Experimental laser destruction of trigeminal sensory root

  摘要：

  The possibility of local laser destruction of the trigeminal sensory root by a puncture technique is demonstrated. A fibrous scar was formed on a limited area of the trigeminal root. There were no signs of axonal regeneration, posttraumatic neuroma, or considerable changes in the Meekel sinus.

  DOI：

  10.1007/bf02434888
• 作为产物：
  描述：

  5-氯-2-甲基苯甲醚 、 乙酰氯 在 二硫化碳 、 三氯化铝 作用下， 生成 1-(2-chloro-4-methoxy-5-methyl-phenyl)-ethanone
  参考文献：
  名称：

  Experimental laser destruction of trigeminal sensory root

  摘要：

  The possibility of local laser destruction of the trigeminal sensory root by a puncture technique is demonstrated. A fibrous scar was formed on a limited area of the trigeminal root. There were no signs of axonal regeneration, posttraumatic neuroma, or considerable changes in the Meekel sinus.

  DOI：

  10.1007/bf02434888

文献信息

• Substituted (2-phenoxyphenyl)acetic acids with antiinflammatory activity. 1
  作者：David C. Atkinson、Keith E. Godfrey、Bernard Meek、John F. Saville、Michael R. Stillings

  DOI：10.1021/jm00364a004

  日期：1983.10

  The synthesis and antiinflammatory activity of a series of substituted (2-phenoxyphenyl)acetic acids are described. Initial screening in the adjuvant arthritis test showed that halogen substitution in the phenoxy ring enhanced activity considerably. Ulcerogenic potential, as measured by the minimum ulcerogenic dose (MUD), was low in almost all the acids tested. [2-(2,4-Dichlorophenoxy)phenyl]acetic

  描述了一系列取代的（2-苯氧基苯基）乙酸的合成和抗炎活性。在佐剂关节炎试验中的初步筛选显示苯氧基环中的卤素取代大大增强了活性。用最小致溃疡剂量（MUD）衡量的致溃疡潜力在几乎所有测试的酸中均很低。[2-（2,4-二氯苯氧基）苯基]乙酸具有最有利的效价和低毒性，包括致溃疡性，该化合物现已用于治疗。
• SUBSTITUTED PHENYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS
  申请人：Ando Koji

  公开号：US20100087480A1

  公开（公告）日：2010-04-08

  This invention provides a compound of the formula (I). These compounds are useful for the treatment of disease conditions caused by overactivation of the VR1 receptor such as pain, or the like in mammal. This invention also provides a pharmaceutical composition comprising the above compound.

  这项发明提供了一种化合物，其化学式为（I）。这些化合物对于治疗由VR1受体过度激活引起的疾病症状，如哺乳动物中的疼痛等，具有益处。该发明还提供了一种包含上述化合物的药物组合物。
• US8158650B2
  申请人：——

  公开号：US8158650B2

  公开（公告）日：2012-04-17
• [EN] SUBSTITUTED PHENYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS<br/>[FR] COMPOSÉS DE PHÉNYLMÉTHYL BICYCLOCARBOXYAMIDE SUBSTITUÉS
  申请人：PFIZER JAPAN INC

  公开号：WO2008050199A2

  公开（公告）日：2008-05-02

  (EN) This invention provides a compound of the formula (I). These compounds are useful for the treatment of disease conditions caused by overactivation of the VR1 receptor such as pain, or the like in mammal. This invention also provides a pharmaceutical composition comprising the above compound.(FR) Cette invention concerne un composé de formule (I). Ces composés sont utiles lors du traitement d'états pathologiques dus à une suractivation du récepteur VR1, tels que la douleur, ou similaire, chez des mammifères. Cette invention se rapporte également à une composition pharmaceutique contenant ledit composé.
• Experimental laser destruction of trigeminal sensory root
  作者：R. U. Giniatullin、A. I. Kozel'、S. T. Ismagilova

  DOI：10.1007/bf02434888

  日期：2000.6

  The possibility of local laser destruction of the trigeminal sensory root by a puncture technique is demonstrated. A fibrous scar was formed on a limited area of the trigeminal root. There were no signs of axonal regeneration, posttraumatic neuroma, or considerable changes in the Meekel sinus.