(+/-)-ethyl 3-methyl-5-phenyl-2-isoxazoline-4-carboxylate | 81214-23-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (+/-)-ethyl 3-methyl-5-phenyl-2-isoxazoline-4-carboxylate
• 英文别名: 3-methyl-5-phenyl-4,5-dihydro-isoxazole-4-carboxylic acid ethyl ester；Ethyl 3-methyl-5-phenyl-4,5-dihydro-1,2-oxazole-4-carboxylate
• CAS: 81214-23-5
• 化学式: C₁₃H₁₅NO₃
• 分子量: 233.267
• InChiKey: MHHWOGHRUCVNHT-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：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  47.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  异氰酸苯酯 以22%的产率得到
  参考文献：
  名称：

  Yang S., Hayden W., Griengl H., Monatsh. Chem, 125 (1994) N 4, S 469-477

  摘要：

  DOI：

文献信息

• Zadrozna, Irmina; Kurkowska, Joanna; Makuch, Iwona, Bulletin of the Polish Academy of Sciences: Chemistry, 1999, vol. 47, # 2, p. 111 - 118
  作者：Zadrozna, Irmina、Kurkowska, Joanna、Makuch, Iwona

  DOI：——

  日期：——
• Resolution of ?2-isoxazoline-5-carboxylates by a protease fromAspergillus Oryzae providing masked synthons for enantiopure ?-aminoalcohols and related structures
  作者：S. Yang、W. Hayden、H. Griengl

  DOI：10.1007/bf00811865

  日期：1994.4

  A series of racemic DELTA2-isoxazolinecarboxylates have been synthesized and subjected to enzymatic hydrolysis by a protease from Aspergillus oryzae in a two-phase system. Out of these compounds only isoxazoline-5-carboxylates unsubstituted at C-4 were hydrolyzed. Thus, from 3-ethoxycarbonyl-, 3-methyl-, and 3-phenyl-DELTA2-isoxazoline-5-carboxylates the corresponding (R)-configurated carboxylic acids are obtained. In contrast, an additional methyl group at C-5 changes the steric course of the hydrolysis to give predominantly the (S)-acid. The enantioselectivities obtained are in the range of E = 5-35.
• EL-KASABY, M. A.;SALIM, M. A. I., EGYPT. J. CHEM., 1980, 23, N 5, 323-336
  作者：EL-KASABY, M. A.、SALIM, M. A. I.

  DOI：——

  日期：——

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