3-amino-4-methylhexanoic acid | 132745-52-9

• 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: 3-amino-4-methylhexanoic acid
• 英文别名: 3-azaniumyl-4-methylhexanoate
• CAS: 132745-52-9
• 化学式: C₇H₁₅NO₂
• 分子量: 145.202
• InChiKey: JHEDYGILOIBOTL-UHFFFAOYSA-N

物化性质

• 沸点：
  249.1±23.0 °C(Predicted)
• 密度：
  1.014±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.7
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  63.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (2,5-dioxopyrrolidin-1-yl) 2-[[2-methyl-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoyl]amino]acetate 、 甲醇 、 3-amino-4-methylhexanoic acid 生成 methyl (3S)-4-methyl-3-[[2-[[2-methyl-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoyl]amino]acetyl]amino]hexanoate
  参考文献：
  名称：

  YAMADA, TAKASHI;NONOMURA, SONOKO;FUJIWARA, HIROYUKI;MIYAZAWA, TOSHIFUMI;K+, J. CHROMATOGR., 515,(1990) C. 475-482

  摘要：

  DOI：
• 作为产物：
  描述：

  2-甲基丁醛 、 丙二酸 在 ammonium acetate 作用下， 以 乙醇 为溶剂， 反应 8.0h， 以41%的产率得到3-amino-4-methylhexanoic acid
  参考文献：
  名称：

  A Simple Synthesis of β-Alkyl-Substituted β-Amino Acids

  摘要：

  By the condensation of branched-chain aliphatic or alicyclic aldehydes with malonic acid in the presence of ammonium acetate, beta-alkyl-substituted beta-amino acids were prepared.

  DOI：

  10.1080/00397919808005714

文献信息

• Process for producing optically active 3-halogenocarboxylic acid ester and 3-azidocarboxylic acid ester
  申请人：——

  公开号：US20030225301A1

  公开（公告）日：2003-12-04

  A process for producing an optically active 3-azide-carboxylic acid ester by reacting an optically active 3-hydroxycarboxylic acid ester and a thionyl halide in the presence of a basic substance in an organic solvent to produce an optically active 3-halogenocarboxylic acid ester which is then reacted with an azide salt represented by the formula: MN 3 (wherein M is an alkaline metal) in water or a mixture of water and a water soluble organic solvent.

  通过在有机溶剂中，在碱性物质存在下，将光学活性的3-羟基羧酸酯和硫酰卤在一起反应，产生光学活性的3-卤代羧酸酯，然后将其与由公式表示的偶氮盐（其中M是碱性金属）在水或水和水溶性有机溶剂的混合物中反应，从而生产光学活性的3-偶氮基羧酸酯的方法。
• Amino acids with affinity for the alpha2delta-protein
  申请人：Blazecka Garth Peter

  公开号：US20050101643A1

  公开（公告）日：2005-05-12

  Certain β-amino acids that bind to the alpha-2-delta (α2δ) subunit of a calcium channel are disclosed. These compounds and their pharmaceutically acceptable salts are useful in the treatment of a variety of psychiatric, pain and other disorders. Also disclosed are methods of making the β-amino acids.

  本发明揭示了结合到钙通道的α2δ亚基的某些β-氨基酸。这些化合物及其药学上可接受的盐在治疗各种精神疾病、疼痛和其他疾病方面非常有用。本发明还揭示了制备β-氨基酸的方法。
• AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN
  申请人：Blazecka Garth Peter

  公开号：US20070129550A1

  公开（公告）日：2007-06-07

  Certain β-amino acids that bind to the alpha-2-delta (α2δ) subunit of a calcium channel are disclosed. These compounds and their pharmaceutically acceptable salts are useful in the treatment of a variety of psychiatric, pain and other disorders. Also disclosed are methods of making the β-amino acids.

  本文披露了某些能够与钙通道的α2δ亚单位结合的β-氨基酸。这些化合物及其药用盐在治疗多种精神、疼痛和其他疾病方面具有用途。本文还披露了制备β-氨基酸的方法。
• Process for producing optically active 3-halogenocarboxylic acid esters and 3-azide-carboxylic acid esters
  申请人：Takasago International Corporation

  公开号：EP1344763A1

  公开（公告）日：2003-09-17

  A process for producing an optically active 3-azide-carboxylic acid ester by reacting an optically active 3-hydroxycarboxylic acid ester and a thionyl halide in the presence of a basic substance in an organic solvent to produce an optically active 3-halogenocarboxylic acid ester which is then reacted with an azide salt represented by the formula: MN3 (wherein M is an alkaline metal) in water or a mixture of water and a water soluble organic solvent.

  一种生产光学活性 3-叠氮羧酸酯的工艺，在有机溶剂中，在碱性物质存在下，使光学活性 3-羟基羧酸酯和硫酰基卤反应，生成光学活性 3-卤代羧酸酯，然后使其与式 MN3（其中 M 为碱金属）代表的叠氮盐反应：MN3（其中 M 为碱金属）在水或水与水溶性有机溶剂的混合物中反应。
• AMPHIPATHIC MOLECULE, MOLECULAR AGGREGATE COMPRISING THE AMPHIPATHIC MOLECULE, AND USE OF THE MOLECULAR AGGREGATE
  申请人：Waseda University

  公开号：EP2157096B1

  公开（公告）日：2013-02-20