(S)-3-methyl-2,3-dihydrobenzofuran-7-carbonyl chloride | 916485-45-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: (S)-3-methyl-2,3-dihydrobenzofuran-7-carbonyl chloride
• CAS: 916485-45-5
• 化学式: C₁₀H₉ClO₂
• 分子量: 196.633
• InChiKey: DBABTADSPUVSLO-ZCFIWIBFSA-N

物化性质

• 沸点：
  273.7±39.0 °C(Predicted)
• 密度：
  1.260±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.56
• 重原子数：
  13.0
• 可旋转键数：
  1.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  26.3
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  (S)-3-methyl-2,3-dihydrobenzofuran-7-carbonyl chloride 、 dodecyl 2-amino-3-[(benzofuran-7-carbonyl)-amino]-benzoate 在 三乙胺 作用下， 生成 dodecyl 3-[(benzofuran-7-carbonyl)amino]-2-{[(S)-3-methyl-2,3-dihydrobenzofuran-7-carbonyl]amino}benzoate
  参考文献：
  名称：

  trans-Cyclohexane-1,2-diamine Is a Weak Director of Absolute Helicity in Chiral Nickel−Salen Complexes

  摘要：

  The interconversion between helical diastereomers of nickel-salen-based foldamers can be observed on a NMR time scale. Such complexes provide quantitative information about the propensity of different elements of central chirality to control the absolute sense of folding. trans-Cyclohexane-1,2-diamine-a common component of chiral salen catalysts-is a surprisingly weak director of absolute helicity in nickel-salen foldamers. Implications for asymmetric catalysis are discussed.

  DOI：

  10.1021/ja073900p
• 作为产物：
  描述：

  (S)-3-methyl-2,3-dihydrobenzofuran-7-carboxylic acid 在 氯化亚砜 作用下， 反应 2.0h， 生成 (S)-3-methyl-2,3-dihydrobenzofuran-7-carbonyl chloride
  参考文献：
  名称：

  Control of Absolute Helicity in Single-Stranded Abiotic Metallofoldamers

  摘要：

  Described is the design, synthesis, and characterization of abiotic, single-stranded metallofoldamers that adopt helical secondary structures upon metal complexation. The absolute helicity is determined by stereocenters at the ends of the structures and is enforced by the steric influence and hydrogen bonding ability of esters in the backbone of the foldamer. Folding of the structures is characterized in the solid state by X-ray crystallography and in solution by specific rotation, CD spectroscopy, and NMR spectroscopy.

  DOI：

  10.1021/ja065721y