1-氯-3-甲基-3,4-二氢萘-2-甲醛 | 861843-98-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 1-氯-3-甲基-3,4-二氢萘-2-甲醛
• 英文名称: 1-Chloro-3-methyl-3,4-dihydro-naphthalene-2-carbaldehyde
• 英文别名: 1-Chloro-3-methyl-3,4-dihydronaphthalene-2-carbaldehyde
• CAS: 861843-98-3
• 化学式: C₁₂H₁₁ClO
• 分子量: 206.672
• InChiKey: ULXZSCJAUSVXBZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-氯-3-甲基-3,4-二氢萘-2-甲醛 在 sodium ethanolate 、 sodium hydroxide 作用下， 以 四氢呋喃 、 水 为溶剂， 生成 4-methyl-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylic acid
  参考文献：
  名称：

  4H-Thieno[3,2-c]chromene based inhibitors of Notum Pectinacetylesterase

  摘要：

  A group of small molecule thienochromenes inhibitors of Notum Pectinacetylesterase are described. We developed SAR on three series based on carbon, oxygen and sulfur replacement of the 5-position. In each series, highly potent Notum Pectinacetylesterase inhibitors were identified. (C) 2016 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2016.01.038
• 作为产物：
  描述：

  3-甲基-3,4-二氢-2H-萘-1-酮 、 N,N-二甲基甲酰胺 在 三氯氧磷 作用下， 生成 1-氯-3-甲基-3,4-二氢萘-2-甲醛
  参考文献：
  名称：

  4H-Thieno[3,2-c]chromene based inhibitors of Notum Pectinacetylesterase

  摘要：

  A group of small molecule thienochromenes inhibitors of Notum Pectinacetylesterase are described. We developed SAR on three series based on carbon, oxygen and sulfur replacement of the 5-position. In each series, highly potent Notum Pectinacetylesterase inhibitors were identified. (C) 2016 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2016.01.038

文献信息

• Selective palladium-catalyzed amination of β-chloroacroleins by substituted anilines
  作者：Stéphanie Hesse、Gilbert Kirsch

  DOI：10.1016/j.tet.2005.05.011

  日期：2005.7

  beta-Chloroacroleins can undergo a selective amination on their chloro position under palladium catalysis; in those conditions, no imine formation was observed. Their coupling with anilines carrying electron-donating or electron-withdrawing substituents proceeds in moderate to good yields and steric hindrance does not seem to be a limitation as o-substituted anilines react readily. (c) 2005 Elsevier Ltd. All rights reserved.