N-(tert-butyloxycarbonyl)-1-amino-trans-2,3-dimethylcyclopropanecarboxylic acid methyl ester | 138571-88-7

• 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: N-(tert-butyloxycarbonyl)-1-amino-trans-2,3-dimethylcyclopropanecarboxylic acid methyl ester
• 英文别名: methyl (2R,3R)-2,3-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate
• CAS: 138571-88-7；138663-11-3
• 化学式: C₁₂H₂₁NO₄
• 分子量: 243.303
• InChiKey: MPYUEWWSNQXAAU-HTQZYQBOSA-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：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  64.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-(tert-butyloxycarbonyl)-1-amino-trans-2,3-dimethylcyclopropanecarboxylic acid methyl ester 在 盐酸 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 生成 1-amino-trans-2,3-dimethylcyclopropanecarboxylic acid methyl ester hydrochloride
  参考文献：
  名称：

  Synthesis and taste properties of L-aspartyl-methylated 1-aminocyclopropanecarboxylic acid methyl esters

  摘要：

  Several isomers of L-aspartyl-1-aminocyclopropanecarboxylic acid methyl ester with methyl group substitutions on the cyclopropane ring were synthesized. Conformational analyses were carried out on these molecules using H-1 NMR and molecular modeling studies. Their taste properties are explained on the basis of our previously reported topochemical model for taste response.

  DOI：

  10.1021/jo00030a009
• 作为产物：
  描述：

  BOC-苏氨酸甲酯 在 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 copper(l) chloride 作用下， 以 四氢呋喃 、 乙醚 、 氯仿 为溶剂， 反应 32.0h， 生成 N-(tert-butyloxycarbonyl)-1-amino-trans-2,3-dimethylcyclopropanecarboxylic acid methyl ester
  参考文献：
  名称：

  Synthesis and taste properties of L-aspartyl-methylated 1-aminocyclopropanecarboxylic acid methyl esters

  摘要：

  Several isomers of L-aspartyl-1-aminocyclopropanecarboxylic acid methyl ester with methyl group substitutions on the cyclopropane ring were synthesized. Conformational analyses were carried out on these molecules using H-1 NMR and molecular modeling studies. Their taste properties are explained on the basis of our previously reported topochemical model for taste response.

  DOI：

  10.1021/jo00030a009

文献信息

• Synthesis and taste properties of L-aspartyl-methylated 1-aminocyclopropanecarboxylic acid methyl esters
  作者：Yun Fei Zhu、Toshimasa Yamazaki、Joseph W. Tsang、Stan Lok、Murray Goodman

  DOI：10.1021/jo00030a009

  日期：1992.2

  Several isomers of L-aspartyl-1-aminocyclopropanecarboxylic acid methyl ester with methyl group substitutions on the cyclopropane ring were synthesized. Conformational analyses were carried out on these molecules using H-1 NMR and molecular modeling studies. Their taste properties are explained on the basis of our previously reported topochemical model for taste response.