7-chloro-2-methyl-3-heptyne | 60042-69-5

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机氯化物
• 英文名称: 7-chloro-2-methyl-3-heptyne
• 英文别名: 7-Chlor-2-methyl-3-heptin；7-chloro-2-methyl-hept-3-yne；7-Chloro-2-methylhept-3-yne
• CAS: 60042-69-5
• 化学式: C₈H₁₃Cl
• mdl: MFCD19233648
• 分子量: 144.644
• InChiKey: LYHHIXVBEQBFLN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  7-chloro-2-methyl-3-heptyne 在 lithium diethylamide 作用下， 以 四氢呋喃 为溶剂， 生成 cyclopropylisopropylacetylene
  参考文献：
  名称：

  Bauer,D.; Koebrich,G., Chemische Berichte, 1976, vol. 109, p. 2185 - 2196

  摘要：

  DOI：
• 作为产物：
  描述：

  1,1-二氯-3-甲基丁烷 、 1-溴-3-氯丙烷 在 lithium amide 作用下， 以75%的产率得到7-chloro-2-methyl-3-heptyne
  参考文献：
  名称：

  Regiochemistry and stereochemistry of intramolecular [2+2] photocycloaddition of carbon-carbon double bonds to cyclohexenones

  摘要：

  The intramolecular [2 + 2] photocycloaddition mechanism of alkenes tethered by a three-methylene chain to cyclohexenones has been studied. It was found that the reversion from a 1,4-diradical intermediate to starting material is slow relative to the rate of photoadduct formation. Only ''straight'' closure was observed in the systems studied. For compounds 1-3 and 5, the assumption that the first bond is formed between the beta-carbon of the enone and C-4' leading to a 1,4-diradical is supported. For the formation of compounds 6-11, possible mechanisms are discussed.

  DOI：

  10.1021/jo00014a040

文献信息

• Regiochemistry and stereochemistry of intramolecular [2+2] photocycloaddition of carbon-carbon double bonds to cyclohexenones
  作者：D. Becker、M. Nagler、Y. Sahali、N. Haddad

  DOI：10.1021/jo00014a040

  日期：1991.7

  The intramolecular [2 + 2] photocycloaddition mechanism of alkenes tethered by a three-methylene chain to cyclohexenones has been studied. It was found that the reversion from a 1,4-diradical intermediate to starting material is slow relative to the rate of photoadduct formation. Only ''straight'' closure was observed in the systems studied. For compounds 1-3 and 5, the assumption that the first bond is formed between the beta-carbon of the enone and C-4' leading to a 1,4-diradical is supported. For the formation of compounds 6-11, possible mechanisms are discussed.
• Bauer,D.; Koebrich,G., Chemische Berichte, 1976, vol. 109, p. 2185 - 2196
  作者：Bauer,D.、Koebrich,G.

  DOI：——

  日期：——