tyrosinate | 46232-29-5

• 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: tyrosinate
• 英文别名: 2-Amino-3-(4-hydroxyphenyl)propanoate
• CAS: 46232-29-5
• 化学式: C₉H₁₀NO₃
• 分子量: 180.183
• InChiKey: OUYCCCASQSFEME-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.6
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  86.4
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  trans-dichlorobis(ethylenediamine)cobalt(III) chloride 、 tyrosinate 以 not given 为溶剂， 以62%的产率得到Δ-(1,2-diaminoethane)bis(S-tyrosinato)cobalt(III) chloride hydrate
  参考文献：
  名称：

  Mixed cobalt(III) complexes with aromatic amino acids and diamines. III.

  摘要：

  The title compound, [Co(C(9)H(10)NO(3))(2)(C(2)H(8)N(2))]Cl.4H(2)O, is one of six possible diastereomers of the (1,2-diaminoethane)bis(S-tyrosinato)cobalt(III) complex. The cobalt(III) ion has an octahedral coordination, with three five-membered chelate rings which have deformed coordination angles and coordinated O atoms in trans positions. In comparison with the previously reported crystal structure of the Delta-C(1)-cis(O) diastereomer [Miodragović et al. (2001). Enantiomer, 6, 299-308], the compound presented in this paper has more planar five-membered aminocarboxylate rings. Complex cations, chloride anions and water molecules of crystallization are linked together by a network of hydrogen bonds. The chloride anions lie approximately between two Co atoms and form hydrogen bonds with all coordinated NH(2) groups. In the crystal structure, there is a weak intermolecular pi...pi interaction between the phenyl rings.

  DOI：

  10.1107/s0108270102006728
• 作为产物：
  描述：

  neutral tyrosyl radical 、 苯氧基自由基 以 水 为溶剂， 生成 tyrosinate 、 phenyloxy radical
  参考文献：
  名称：

  Lind; Shen; Eriksen, Journal of the American Chemical Society, 1990, vol. 112, # 2, p. 479 - 482

  摘要：

  DOI：

文献信息

• Lind; Shen; Eriksen, Journal of the American Chemical Society, 1990, vol. 112, # 2, p. 479 - 482
  作者：Lind、Shen、Eriksen、Merényi

  DOI：——

  日期：——
• Mixed cobalt(III) complexes with aromatic amino acids and diamines. III.
  作者：Goran A. Bogdanović、Djenana U. Miodragović、Mijat J. Malinar

  DOI：10.1107/s0108270102006728

  日期：2002.6.15

  The title compound, [Co(C(9)H(10)NO(3))(2)(C(2)H(8)N(2))]Cl.4H(2)O, is one of six possible diastereomers of the (1,2-diaminoethane)bis(S-tyrosinato)cobalt(III) complex. The cobalt(III) ion has an octahedral coordination, with three five-membered chelate rings which have deformed coordination angles and coordinated O atoms in trans positions. In comparison with the previously reported crystal structure of the Delta-C(1)-cis(O) diastereomer [Miodragović et al. (2001). Enantiomer, 6, 299-308], the compound presented in this paper has more planar five-membered aminocarboxylate rings. Complex cations, chloride anions and water molecules of crystallization are linked together by a network of hydrogen bonds. The chloride anions lie approximately between two Co atoms and form hydrogen bonds with all coordinated NH(2) groups. In the crystal structure, there is a weak intermolecular pi...pi interaction between the phenyl rings.