2-氨基-2-乙基丁酸甲酯 | 70974-26-4

• 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
• 中文名称: 2-氨基-2-乙基丁酸甲酯
• 英文名称: methyl 2-amino-2-ethylbutanoate
• CAS: 70974-26-4
• 化学式: C₇H₁₅NO₂
• mdl: MFCD12151684
• 分子量: 145.202
• InChiKey: JATPQYOJRYBVGT-UHFFFAOYSA-N

物化性质

• 沸点：
  169.2±13.0 °C(Predicted)
• 密度：
  0.959±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.857
• 拓扑面积：
  52.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-氨基-2-乙基丁酸甲酯 在 sodium hydroxide 、 N,N-二乙基甘氨酸甲酯 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 以 1,4-二氧六环 、 水 、 乙腈 为溶剂， 反应 480.0h， 生成 methyl trifluoroacetyl-diethylglycyl-diethylglycyl-diethylglycinate
  参考文献：
  名称：

  Helicalversus Planar Conformation of Homooligopeptides Prepared from Diethylglycine (=2-Amino-2-ethylbutanoic Acid)

  摘要：

  Homooligopeptides containing alpha,alpha-diethylgycine (= 2-amino-2-ethylbutanoic acid), were synthesized by conventional solution methods. An ethyl or methyl ester was used as protecting group at the C-terminus and a trifluoroacetyl group as protecting group at the N-terminus of the peptides. The conformations of such tri-, penta-, and hexapeptides in the solid stare were studied using X-ray crystallographic analysis, and were shown to be a bent planar CS-conformation in the case of tripeptide 8a, and a 3(10)-helical structure in the case of pentapeptide 10 and hexapeptide 11. IR and H-1-NMR spectra revealed that the dominant conformation of hexapeptide 11 in CDCl3 solution was not the 3(10)-helical structure shown in the solid state, but a fully planar C5 structure.

  DOI：

  10.1002/(sici)1522-2675(19990407)82:4<494::aid-hlca494>3.0.co;2-a
• 作为产物：
  描述：

  1-氨基-1-乙基丙基氰化物 在 盐酸 、 氯化亚砜 作用下， 反应 96.0h， 生成 2-氨基-2-乙基丁酸甲酯
  参考文献：
  名称：

  Helicalversus Planar Conformation of Homooligopeptides Prepared from Diethylglycine (=2-Amino-2-ethylbutanoic Acid)

  摘要：

  Homooligopeptides containing alpha,alpha-diethylgycine (= 2-amino-2-ethylbutanoic acid), were synthesized by conventional solution methods. An ethyl or methyl ester was used as protecting group at the C-terminus and a trifluoroacetyl group as protecting group at the N-terminus of the peptides. The conformations of such tri-, penta-, and hexapeptides in the solid stare were studied using X-ray crystallographic analysis, and were shown to be a bent planar CS-conformation in the case of tripeptide 8a, and a 3(10)-helical structure in the case of pentapeptide 10 and hexapeptide 11. IR and H-1-NMR spectra revealed that the dominant conformation of hexapeptide 11 in CDCl3 solution was not the 3(10)-helical structure shown in the solid state, but a fully planar C5 structure.

  DOI：

  10.1002/(sici)1522-2675(19990407)82:4<494::aid-hlca494>3.0.co;2-a

文献信息

• [EN] PYRIDIN- 2 -AMIDES USEFUL AS CB2 AGONISTS<br/>[FR] PYRIDIN-2-AMIDES UTILES COMME AGONISTES DE CB2
  申请人：HOFFMANN LA ROCHE

  公开号：WO2012168350A1

  公开（公告）日：2012-12-13

  The invention relates to a compound of formula (I) wherein R1 to R4 are defined as in the description and in the claims. The compound of formula (I) can be used as a medicament.

  本发明涉及式(I)的化合物，其中R1至R4的定义如描述和权利要求中所述。式(I)的化合物可以用作药物。
• NOVEL PYRIDINE DERIVATIVES
  申请人：Bissantz Caterina

  公开号：US20120316147A1

  公开（公告）日：2012-12-13

  The invention relates to a compound of formula (I) wherein R 1 to R 4 are defined as in the description and in the claims. The compound of formula (I) can be used as a medicament.

  本发明涉及一种公式(I)的化合物 其中R1至R4定义如描述和权利要求中所述。公式(I)的化合物可作为药物使用。
• SUBSTITUTED IMIDAZOLONE DERIVATIVES, PREPARATIONS AND USES
  申请人：Bouey Edith

  公开号：US20100004159A1

  公开（公告）日：2010-01-07

  The present invention relates to polysubstituted imidazolone derivatives, to the pharmaceutical compositions comprising them and to the therapeutic uses thereof in the human and animal health fields. The present invention also relates to a process for preparing these derivatives.

  本发明涉及多取代咪唑酮衍生物，包括它们的药物组合物以及在人类和动物健康领域中的治疗用途。本发明还涉及一种制备这些衍生物的方法。
• Pyrazine-2-carboxamide derivatives
  申请人：Dietz Michel

  公开号：US20080085905A1

  公开（公告）日：2008-04-10

  The present invention relates to compounds of the formula wherein R 1 to R 4 are as defined in the description and claims, and pharmaceutically acceptable salts thereof. The compounds are useful for the treatment and/or prophylaxis of diseases which are associated with the modulation of CB 2 receptors.

  本发明涉及以下式的化合物 其中R 1 到R 4 如描述和索赔中定义，并且其药学上可接受的盐。这些化合物对于治疗和/或预防与CB 2 受体调节相关的疾病是有用的。
• NOVEL PYRAZINE DERIVATIVES
  申请人：Hoffmann-La Roche Inc.

  公开号：US20130109665A1

  公开（公告）日：2013-05-02

  The invention relates to a compound of formula (I) wherein R 1 to R 4 are defined as in the description and in the claims. The compound of formula (I) can be used as a medicament. In particular, the compound may be used as a preferential agonist of Cannabinoid Receptor 2.

  该发明涉及一种化合物，其化学式为（I），其中R1至R4的定义如描述和权利要求中所述。该化合物可以用作药物。特别地，该化合物可用作大麻素受体2的选择性激动剂。