5-oxo-2-phenyl-hexanoic acid ethyl ester | 92864-51-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 5-oxo-2-phenyl-hexanoic acid ethyl ester
• 英文别名: 5-Oxo-2-phenyl-hexansaeure-aethylester；2-Phenyl-5-oxo-hexansaeure-aethylester；Ethyl 5-oxo-2-phenylhexanoate
• CAS: 92864-51-2
• 化学式: C₁₄H₁₈O₃
• 分子量: 234.295
• InChiKey: RKGYSBYSGOSEPU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  17
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-oxo-2-phenyl-hexanoic acid ethyl ester 在 氢氧化钾 作用下， 生成 α-phenyl-δ-oxocaproic acid
  参考文献：
  名称：

  The Chemistry of Methyl Vinyl Ketone. I. The Acetoethylation of Ketones

  摘要：

  DOI：

  10.1021/jo01031a058
• 作为产物：
  描述：

  2-氰基-5-氧代-2-苯基己酸乙酯 在 盐酸 、 硫酸 作用下， 生成 5-oxo-2-phenyl-hexanoic acid ethyl ester
  参考文献：
  名称：

  The Mo−OH proton of the low-pH form of sulfite oxidase: Comparison of the hyperfine interactions obtained from pulsed ENDOR, CW-EPR and ESEEM measurements

  摘要：

  Pulsed electron nuclear double resonance (ENDOR) spectra have been obtained for the exchangeable Mo-OH proton of the low-pH form of native chicken liver sulfite oxidase (SO) and recombinant human SO for the first time. The spectra of the two enzymes are very similar, indicating a similar binding geometry of the hydroxyl ligand to the Mo center. The isotropic hyperfine interaction (hfi) constant for the proton of the OH ligand in both enzymes is about 26 MHz. The anisotropic components of the hfi obtained from the pulsed ENDOR spectra are about 1.6-1.8 times larger than those obtained by continuous-wave electron paramagnetic resonance and electron spin echo envelope modulation. These hfi differences are explained by a rotational disorder of the Mo-OH group. A similar rotational disorder of the coordinated exchangeable ligand has been found previously for the high-pH and phosphate-inhibited forms of SO.

  DOI：

  10.1007/bf03166122

文献信息

• New, practical and effective sources of fluoride ion for desilylation to form carbon anions
  作者：Jakob Busch-Petersen、Yunxin Bo、E.J. Corey

  DOI：10.1016/s0040-4039(99)00166-5

  日期：1999.3

  Suspensions of powdered glassy solids prepared by fusion of 1 : 1 mixtures of CsF-CsOH and CsF-CsCl effectively catalyze the generation of enolates, acetylide and other anions from trimethylsilylated precursors. (C) 1999 Elsevier Science Ltd. All rights reserved.
• The Chemistry of Methyl Vinyl Ketone. II. Reactions with Esters, β-Keto Esters, Malonic Ester, Amines, Tar Bases, and Inorganic Salts
  作者：Norman C. Ross、Robert Levine

  DOI：10.1021/jo01031a059

  日期：1964.8
• 162. Studies in the Sterol–Oestrone Group. Part II. Derivatives of 2-phenylcyclohexanone
  作者：J. C. Bardhan

  DOI：10.1039/jr9400000848

  日期：——