4-chloromethyl-5-methyl-thiophene-2-carbaldehyde | 34767-90-3

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 4-chloromethyl-5-methyl-thiophene-2-carbaldehyde
• 英文别名: 3-Chlormethyl-2-methyl-thiophen-5-carboxaldehyd；4-(Chloromethyl)-5-methylthiophene-2-carbaldehyde
• CAS: 34767-90-3
• 化学式: C₇H₇ClOS
• mdl: MFCD20547589
• 分子量: 174.651
• InChiKey: QCNGEBMCKHXRPD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.285
• 拓扑面积：
  45.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-chloromethyl-5-methyl-thiophene-2-carbaldehyde 生成 [2-methyl-5-(4-phenyl-buta-1,3-dienyl)thiophen-3-yl]acetonitrile
  参考文献：
  名称：

  Novel Photochromic Tetraazaporphyrin Mg (II) Containing Bisthienylethene

  摘要：

  A novel pi- conjugated photochromic tetraazaporphyrin Mg(II) based on dithienylethene was synthesized by a concise route. All compounds were characterized by H-1 NMR spectra and mass spectra etc. The spectroscopic properties including fluorescence and photochromic quantum yields of the compound were also measured.

  DOI：

  10.1080/15421400590946839
• 作为产物：
  描述：

  5-甲基-2-噻吩甲醛 、 聚合甲醛 在 盐酸 作用下， 以79%的产率得到4-chloromethyl-5-methyl-thiophene-2-carbaldehyde
  参考文献：
  名称：

  Novel Photochromic Tetraazaporphyrin Mg (II) Containing Bisthienylethene

  摘要：

  A novel pi- conjugated photochromic tetraazaporphyrin Mg(II) based on dithienylethene was synthesized by a concise route. All compounds were characterized by H-1 NMR spectra and mass spectra etc. The spectroscopic properties including fluorescence and photochromic quantum yields of the compound were also measured.

  DOI：

  10.1080/15421400590946839