Gca-pNA | 62100-58-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Gca-pNA
• 英文别名: 2-Hydroxi-4-nitroacetanilid；glycolic acid-(4-nitro-anilide)；Glykolsaeure-(4-nitro-anilid)；2-Hydroxy-N-(4-nitrophenyl)acetamide
• CAS: 62100-58-7
• 化学式: C₈H₈N₂O₄
• 分子量: 196.163
• InChiKey: LDHNZYQYDDJEEH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  95.2
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Gca-pNA 在 乙醇 、 镍 作用下， 生成 4-(羟基乙酰基氨基)苯胂酸
  参考文献：
  名称：

  DE510451

  摘要：

  公开号：
• 作为产物：
  描述：

  Ac-Gca-pNA 在 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 0.17h， 以80%的产率得到Gca-pNA
  参考文献：
  名称：

  Two alternative conformational states of α,α-dialkylglycyl-L-prolyl sequences governed by presence/absence of an NH group directly following the proline residue. X-Ray crystal and molecular structures of Boc-D-Iva-L-Pro-NHBzl and Boc-L-Iva-L-Pro-NHBzl

  摘要：

  The crystal structures of the isovaline-containing dipeptides, Boc-D-Iva-L-Pro-NHBzl 4 and Boc-L-Iva-L-Pro-NHBzl 5 were determined by X-ray diffraction. The diastereoisomeric peptides adopt intramolecular hydrogen-bonded beta-turn conformations closely similar to each other (4:phi(Iva) -51 degrees, psi(Iva) -38 degrees, phi(Pro) - 70 degrees and psi(Pro) -17 degrees and 5:phi(Iva) -53 degrees, psi(Iva) -35 degrees, phi(Pro) -72 degrees and psi(Pro) -14 degrees). The Pro ring of each peptide is in CY-exo conformation. These conformations are essentially the same as those in the reported crystal structures of the Aib-L-Pro sequence possessing an NH group directly attached to the carbonyl of the L-Pro, indicating that replacement of either one of the two methyl groups of the Aib moiety with an ethyl group does not cause any significant change in the beta-turn conformation of the Aib-L-Pro sequence in the crystalline state.CD spectral analysis of the terminal chromophoric group-carrying peptides Dnp-Gly-X-L-Pro-Gly-pNA (X = Aib 6 and D/L-Iva 7/8) has shown that these three tetrapeptides in CHCl3 and THF solutions also adopt a beta-turn-type conformation. CD spectra of glycolic acid residue-containing analogues in place of the fourth Gly residue revealed a lack of beta-turn tendency in these analogues, indicating the importance of intramolecular hydrogen bonding for the beta-turn conformation of the central dipeptide moieties. The results are consistent with the reported unturned crystal structures of Aib-L-Pro and D/L-Iva-L-Pro sequence-containing peptides tacking the NH group which directly follows the Pro residue available for intramolecular hydrogen bonding.

  DOI：

  10.1039/p19950002115

文献信息

• Synthesis of α-Hydroxycarboxamides from Acetonides of α-Hydroxycarboxylic Acids and Primary Amines
  作者：A. Khalaj、E. Nahid

  DOI：10.1055/s-1985-31460

  日期：——

  The reaction of acetonides of α-hydroxycarboxylic acids with primary amines on heating provides a useful synthetic route to N-substituted α-hydroxycarboxamides. In general, formation of the α-hydroxycarboxamides is favored by the presence of only small substituents on the acetonide, by sufficient nucleophilicity of the amine, and by high-boiling aprotic solvents.

  加热时，α-羟基羧酸的乙酰苯乙醚与初级胺反应提供了一种合成N取代的α-羟基羧酰胺的有效路线。一般而言，α-羟基羧酰胺的形成受益于乙酰苯乙醚上仅有小取代基的存在、胺的足够亲核性以及高沸点非质子溶剂。
• The Smiles Rearrangement of 2-Aryloxy-2-methylpropanamides. Synthesis of<i>N</i>-Aryl-2-hydroxy-2-methylpropanamides
  作者：R. BAYLES、M. C. JOHNSON、R. F. MAISEY、R. W. TURNER

  DOI：10.1055/s-1977-24262

  日期：——
• Organic arsenic compound
  申请人：WINTHROP CHEM CO INC

  公开号：US01988758A1

  公开（公告）日：1935-01-22
• KHALAJ, A.;NAHID, E., SYNTHESIS, BRD, 1985, N 12, 1153-1155
  作者：KHALAJ, A.、NAHID, E.

  DOI：——

  日期：——
• US5212042A
  申请人：——

  公开号：US5212042A

  公开（公告）日：1993-05-18