diethyl 2-[(2R)-1-nitropropan-2-yl]propanedioate | 1443453-34-6

• 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: diethyl 2-[(2R)-1-nitropropan-2-yl]propanedioate
• CAS: 1443453-34-6
• 化学式: C₁₀H₁₇NO₆
• 分子量: 247.248
• InChiKey: RXXHWCBHCNAFQP-ZETCQYMHSA-N

物化性质

• 沸点：
  334.2±32.0 °C(Predicted)
• 密度：
  1.154±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  17
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  98.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  diethyl 2-[(2R)-1-nitropropan-2-yl]propanedioate 在 盐酸 、 氢气 作用下， 以 水 、 异丙醇 为溶剂， 50.0 ℃ 、1.52 MPa 条件下， 反应 38.0h， 生成 (R)-3-methyl-4-aminobutyric acid
  参考文献：
  名称：

  Enantioselective synthesis of γ-aminobutyric acid derivatives by Ni(II)-catalyzed reaction of diethyl malonate with nitroalkenes

  摘要：

  A new synthetic approach to (3R)-4-amino-3-methylbutyric acid and [(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide [(R)-phenotropil] has been developed. Asymmetric center with a required configuration has been generated via enantioselective addition of diethyl malonate to 1-nitropropene and beta-nitrostyrene, catalyzed by Ni(II) complexes with (R,R)- and (S,S)-N,N'-dibenzylcyclohexane-1,2-diamine.

  DOI：

  10.1134/s1070428013050047
• 作为产物：
  描述：

  1-Nitropropen 、 丙二酸二乙酯 在 C₄₀H₅₂Br₂N₄Ni 作用下， 反应 48.0h， 以79.7%的产率得到
  参考文献：
  名称：

  Enantioselective synthesis of γ-aminobutyric acid derivatives by Ni(II)-catalyzed reaction of diethyl malonate with nitroalkenes

  摘要：

  A new synthetic approach to (3R)-4-amino-3-methylbutyric acid and [(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide [(R)-phenotropil] has been developed. Asymmetric center with a required configuration has been generated via enantioselective addition of diethyl malonate to 1-nitropropene and beta-nitrostyrene, catalyzed by Ni(II) complexes with (R,R)- and (S,S)-N,N'-dibenzylcyclohexane-1,2-diamine.

  DOI：

  10.1134/s1070428013050047

文献信息

• Enantioselective process for manufacture
  申请人：SYNGENTA CROP PROTECTION AG

  公开号：US10865197B2

  公开（公告）日：2020-12-15

  The present invention relates an enantioselective process for the manufacture of a compound of formula (E) wherein ring A, RB2 and RB3 are as defined in claim 1.

  本发明涉及一种制造式（E）化合物的对映体选择性工艺 其中环 A、RB2 和 RB3 如权利要求 1 所定义。
• [EN] PYRAZOLE DERIVATIVES<br/>[FR] DÉRIVÉS DE PYRAZOLE
  申请人：SYNGENTA CROP PROTECTION AG

  公开号：WO2020161199A1

  公开（公告）日：2020-08-13

  The present invention relates to nitro-vinyl-pyrazole compounds of formula, wherein ring A, RB2 and RB3 are as defined in claim 1, as well as the manufacture of such compounds and their subsequent use in the production of agrochemicals and/or pharmaceuticals.