2-苯甲酰氨基丙酸丙-2-炔基酯 | 92136-47-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-苯甲酰氨基丙酸丙-2-炔基酯
• 英文名称: 2-benzoylaminopropionic acid prop-2-ynyl ester
• 英文别名: Prop-2-ynyl 2-benzamidopropanoate
• CAS: 92136-47-5
• 化学式: C₁₃H₁₃NO₃
• 分子量: 231.251
• InChiKey: WFLJMEQDZLCNNA-UHFFFAOYSA-N

物化性质

• 沸点：
  436.3±25.0 °C(Predicted)
• 密度：
  1.156±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-苯甲酰氨基丙酸丙-2-炔基酯 生成 2-benzoylamino-2-methylpenta-3,4-dienoic acid methyl ester
  参考文献：
  名称：

  General synthetic access to α-allenyl amines and α-allenyl-α-aminoacids as potential enzyme activated irreversible inhibitors of PLP dependent enzymes

  摘要：

  DOI：

  10.1016/s0040-4039(01)90068-1
• 作为产物：
  描述：

  N-benzoyl-alanine hydrazide 、 2-丙炔-1-醇 在 ammonium cerium(IV) nitrate 作用下， 反应 1.5h， 以81%的产率得到2-苯甲酰氨基丙酸丙-2-炔基酯
  参考文献：
  名称：

  Ceric(IV) ammonium nitrate in the selective conversion of hydrazides to esters

  摘要：

  Hydrazides were treated with ceric(IV) ammonium nitrate (CAN) in the presence of the appropriate alcohol as a nucleophile to afford esters in good yields. Reactions took place exclusively at the hydrazino moiety even when other sensitive groups were present in either of the partners. (C) 1999 Elsevier Science Ltd, All rights reserved.

  DOI：

  10.1016/s0040-4039(99)00764-9

文献信息

• Allenes and Transition Metals:  A Diverging Approach to Heterocycles
  作者：Kay M. Brummond、Branko Mitasev

  DOI：10.1021/ol0492391

  日期：2004.6.1

  [GRAPHICS]An alkynyl allene has been converted to heterocycles possessing an alpha-alkylidene cyclopentenone, a 4-alkylidene cyclopentenone, or a cross-conjugated triene. Thus, a common intermediate has been converted to three structurally unique compounds by changing only the reaction conditions and, therefore, controlling various reaction pathways.