(S)-4-ethyl-7-(4-methoxyphenyl)heptanoic acid | 1334229-00-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: (S)-4-ethyl-7-(4-methoxyphenyl)heptanoic acid
• CAS: 1334229-00-3
• 化学式: C₁₆H₂₄O₃
• 分子量: 264.365
• InChiKey: PKMSCJGUNZFWKW-ZDUSSCGKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.91
• 重原子数：
  19.0
• 可旋转键数：
  9.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  46.53
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  7-(4-methoxyphenyl)-4-ethyl-N,N-diphenylheptanamide 在 水 、 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 8.0h， 生成 (S)-4-ethyl-7-(4-methoxyphenyl)heptanoic acid 、 (R)-4-ethyl-7-(4-methoxyphenyl)heptanoic acid
  参考文献：
  名称：

  Catalytic Asymmetric γ-Alkylation of Carbonyl Compounds via Stereoconvergent Suzuki Cross-Couplings

  摘要：

  With the aid of a chiral nickel catalyst, enantioselective gamma- (and delta-) alkylations of carbonyl compounds can be achieved through the coupling of gamma-haloamides with alkylboranes. In addition to primary alkyl nucleophiles, for the first time for an asymmetric cross-coupling of an unactivated alkyl electrophile, an arylmetal, a boronate ester, and a secondary (cyclopropyl) alkylmetal compound are shown to couple with significant enantioselectivity. A mechanistic study indicates that cleavage of the carbon-halogen bond of the electrophile is irreversible under the conditions for asymmetric carbon-carbon bond formation.

  DOI：

  10.1021/ja2079515