trans-3-Methyl-5-(3-chlor-4-methoxy-2,6-dimethylphenyl)-2-pentenal | 57399-46-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: trans-3-Methyl-5-(3-chlor-4-methoxy-2,6-dimethylphenyl)-2-pentenal
• 英文别名: (E)-5-(3-chloro-4-methoxy-2,6-dimethylphenyl)-3-methylpent-2-enal
• CAS: 57399-46-9
• 化学式: C₁₅H₁₉ClO₂
• 分子量: 266.768
• InChiKey: LCCOQVJKNQIJTI-JXMROGBWSA-N

物化性质

• 沸点：
  409.2±45.0 °C(Predicted)
• 密度：
  1.077±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 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：

  trans-3-Methyl-5-(3-chlor-4-methoxy-2,6-dimethylphenyl)-2-pentenal 、 (E)-4-Dimethylphosphono-3-methyl-2-butenoate 生成 methyl (2E,4E,6E)-9-(3-chloro-4-methoxy-2,6-dimethylphenyl)-3,7-dimethylnona-2,4,6-trienoate
  参考文献：
  名称：

  Dihydroretinoic acids and their derivatives. Synthesis and biological activity

  摘要：

  The syntheses of the ring and four side-chain dihydroretinoic acids and/or their esters, 3-7, are described. The syntheses of several other retinoids containing a substituted aromatic ring are also included. The biological activity of the compounds was evaluated in vivo in a chemically induced mouse skin papilloma test and in vitro in two vitamin A deficient assays. The activity observed for 1a, 1c, and 2a in the former test was partially retained in the dihydro derivatives 4b, 4c, and 6b. Similar results were found in the in vitro assays.

  DOI：

  10.1021/jm00217a011
• 作为产物：
  描述：

  3-Chlor-2,6-dimethyl-4-methoxybenzylchlorid 在 manganese(IV) oxide 、 红铝 作用下， 生成 trans-3-Methyl-5-(3-chlor-4-methoxy-2,6-dimethylphenyl)-2-pentenal
  参考文献：
  名称：

  Dihydroretinoic acids and their derivatives. Synthesis and biological activity

  摘要：

  The syntheses of the ring and four side-chain dihydroretinoic acids and/or their esters, 3-7, are described. The syntheses of several other retinoids containing a substituted aromatic ring are also included. The biological activity of the compounds was evaluated in vivo in a chemically induced mouse skin papilloma test and in vitro in two vitamin A deficient assays. The activity observed for 1a, 1c, and 2a in the former test was partially retained in the dihydro derivatives 4b, 4c, and 6b. Similar results were found in the in vitro assays.

  DOI：

  10.1021/jm00217a011

文献信息

• US4132723A
  申请人：——

  公开号：US4132723A

  公开（公告）日：1979-01-02
• Dihydroretinoic acids and their derivatives. Synthesis and biological activity
  作者：Beverly A. Pawson、H. C. Cheung、Ru-Jen L. Han、Patrick W. Trown、Margaret Buck、Roseanne Hansen、W. Bollag、U. Ineichen、H. Pleil

  DOI：10.1021/jm00217a011

  日期：1977.7

  The syntheses of the ring and four side-chain dihydroretinoic acids and/or their esters, 3-7, are described. The syntheses of several other retinoids containing a substituted aromatic ring are also included. The biological activity of the compounds was evaluated in vivo in a chemically induced mouse skin papilloma test and in vitro in two vitamin A deficient assays. The activity observed for 1a, 1c, and 2a in the former test was partially retained in the dihydro derivatives 4b, 4c, and 6b. Similar results were found in the in vitro assays.