methyl exo-7-chlorobicyclo[4.1.0]heptane-7-carboxylate | 37863-39-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: methyl exo-7-chlorobicyclo[4.1.0]heptane-7-carboxylate
• 英文别名: Methyl exo-7-chlorbicyclo<4.1.0>heptan-endo-7-carboxylat
• CAS: 37863-39-1
• 化学式: C₉H₁₃ClO₂
• 分子量: 188.654
• InChiKey: CHHRWOSRJAEHSC-QMSLJYSESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.96
• 重原子数：
  12.0
• 可旋转键数：
  1.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  26.3
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  exo-7-chlorobicyclo[4.1.0]heptane-7-carbaldehyde 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 生成 methyl exo-7-chlorobicyclo[4.1.0]heptane-7-carboxylate
  参考文献：
  名称：

  Highly Stereoselective Radical Carbonylations of gem-Dihalocyclopropane Derivatives with CO

  摘要：

  A couple of radical carbonylations of gem-dihalocyclopropanes 1 using CO and Bu3SnH (formylation) or Bu3Sn(CH2CHCH2) (allylacylation) successfully proceeded to give trans and cis adducts (2 and 3) with good to excellent stereoselectivity (trans/cis = > 99/1-75/25 or 17/83-1/99). The formylation of 2,3-cis-disubstituted 1,1-dihalocyclopropanes enhanced trans selectivity (trans/cis = > 99/1-95/5), whereas both 2,3-cis-disubstituted and 2-monosubstituted 1,1-dihalocyclopropanes underwent allylacylation with nearly complete trans selectivity (trans/cis = > 99/1). Inherently less reactive gem-dichloro- and bromochlorocyclopropanes than gem-dibromocyclopropanes served as favorable substrates.

  DOI：

  10.1021/ol062673d

文献信息

• Reactions of acetylacetone and aluminium tris(acetylacetonate) with methylaluminium compounds
  作者：S Pasynkiewicz、K Dowbor

  DOI：10.1016/s0022-328x(00)81766-0

  日期：1972.9

  methylaluminium chloride compounds have been investigated. At molar ratios of reagents, dimethylaluminium acetylacetonate, methylaluminium chloride acetylacetonate and aluminium dichloride acetylacetonate were obtained at −70°. At a ratio of (acetylacetone in excess) aluminium tris(acetylacetonate) was the only product formed in the reactions. The reaction mechanisms are discussed in terms of the data

  已经研究了乙酰丙酮与三甲基铝和甲基氯化铝化合物的反应。在试剂的摩尔比下，在-70°下获得乙酰丙酮二甲基铝，氯化乙酰丙酮甲基铝和二氯化乙酰丙酮铝。在（过量的乙酰丙酮）比例下，三（乙酰丙酮）铝是反应中唯一形成的产物。根据获得的数据讨论了反应机理。
• Yagoub,A.K. et al., Journal of the Chemical Society. Perkin transactions I, 1977, p. 697 - 699
  作者：Yagoub,A.K. et al.

  DOI：——

  日期：——