methyl 3-amino-2-(acetyl)-5-methyl-2-hexenoate | 136744-82-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 英文名称: methyl 3-amino-2-(acetyl)-5-methyl-2-hexenoate
• 英文别名: (MeCO)(MeCO)CC(NH2)(isobutyl)
• CAS: 136744-82-6
• 化学式: C₁₀H₁₇NO₃
• 分子量: 199.25
• InChiKey: KDZWFYLPUITARG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.01
• 重原子数：
  14.0
• 可旋转键数：
  4.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  69.39
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  palladium diacetate 、 methyl 3-amino-2-(acetyl)-5-methyl-2-hexenoate 以 乙醇 为溶剂， 以63%的产率得到
  参考文献：
  名称：

  Volatile square planar β-imino carbonyl enolato complexes of Pd(II) and Ni(II) as potential MOCVD precursors

  摘要：

  A series of palladium(II) and nickel(II) [ML(2)] complexes (1-6: 1, Pd, L(Me); 2, Pd, L(iBu); 3, Pd, L(nBu): 4, Pd, L(nHe); 5, Ni, L(Me); 6, Ni, L(iBu)) has been synthesised by reacting the proper acetato salt with the beta-enamino ketoesters (MeCO)(MeOCO)C=C(NH(2))R (R = Me, i-Bu, n-Bu, n-hexyl). The chain length has practically no effect on the output of the synthetic procedure so that complexes are obtained always in good yields. They are all square planar and the potentially tridentate ligand is coordinated via the N,O donor atoms of the imino and keto groups. Their thermal behaviour has been fully studied and [Ni(L(Me))(2)] demonstrated to be a convenient precursor for the Metal Organic Chemical Vapour Deposition of Ni and NiO thin films. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2009.02.017
• 作为产物：
  描述：

  异戊酰氯 在 吡啶 、 ammonium acetate 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 118.0h， 生成 methyl 3-amino-2-(acetyl)-5-methyl-2-hexenoate
  参考文献：
  名称：

  Enantioselective synthesis of β-amino acids based on BINAP—ruthenium(II) catalyzed hydrogenation

  摘要：

  BINAP-Ru(II) catalyzed hydrogenation of beta-substituted (E)-beta-(acylamino)acrylic acids allows efficient enantioselective synthesis of beta-amino acids. The Z double bond isomers which possess an intramolecular hydrogen bond between amide and ester groups are more reactive but are hydrogenated with poor enantioselectivity. BINAP-Rh(I) complexes afford only moderate stereoselectivity with the opposite sense of enantioselection.

  DOI：

  10.1016/s0957-4166(00)86107-8