2-naphthoic acid carboxylate anion | 3198-25-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-naphthoic acid carboxylate anion
• 英文别名: Naphthalene-2-carboxylate；2-naphthoate
• CAS: 3198-25-2
• 化学式: C₁₁H₇O₂
• 分子量: 171.175
• InChiKey: UOBYKYZJUGYBDK-UHFFFAOYSA-M

物化性质

• 熔点：
  98 °C
• 沸点：
  153 °C(Press: 4 Torr)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  40.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-naphthoic acid carboxylate anion 在 phosphate buffer 、 Pseudomonas sp. TA-2 作用下， 生成 (1R,2S)-1,2-Dihydroxy-1,2-dihydro-naphthalene-2-carboxylic acid 、 (3S,4R)-3,4-二羟基-3,4-二氢-2-萘甲酸
  参考文献：
  名称：

  Conversion of Naphthoates tocis-Dihydrodiols by Naphthalenesulfonate-assimilatingPseudomonassp. TA-2

  摘要：

  发现一种萘磺酸盐同化细菌——假单胞菌属TA-2可将2-萘酸盐转化为顺式-1,2-二羟基-1,2-二氢萘-2-羧酸酯（DDN2C）和顺式-1,2-二羟基-1,2-二氢萘-3-羧酸酯（DDN3C），并将1-萘酸盐转化为反式-1,2-二羟基-1,2-二氢萘-1-羧酸酯（DDN1C）。有人提出，萘酸盐的转化是由一种具有弱位选择性二氧戊环酶完成的。

  DOI：

  10.1271/bbb.60.883
• 作为产物：
  描述：

  2-萘甲酸 在 ammonium hydroxide 作用下， 325.0 ℃ 、34.47 MPa 条件下， 生成 2-naphthoic acid carboxylate anion
  参考文献：
  名称：

  Acid-base behavior in supercritical water: β-naphthoic acid-ammonia equilibrium

  摘要：

  DOI：

  10.1007/bf02439441

文献信息

• Salivary Aldehyde Dehydrogenase: Activity towards Aromatic Aldehydes and Comparison with Recombinant ALDH3A1
  作者：Joanna Giebułtowicz、Renata Wolinowska、Anna Sztybor、Monika Pietrzak、Piotr Wroczyński、Jacek Wierzchowski

  DOI：10.3390/molecules14072363

  日期：——

  A series of aromatic aldehydes was examined as substrates for salivary aldehyde dehydrogenase (sALDH) and the recombinant ALDH3A1. Para-substituted benzaldehydes, cinnamic aldehyde and 2-naphthaldehydes were found to be excellent substrates, and kinetic parameters for both salivary and recombinant ALDH were nearly identical. It was demonstrated that for the fluorogenic naphthaldehydes the only produced

  检查了一系列芳香醛作为唾液醛脱氢酶 (sALDH) 和重组 ALDH3A1 的底物。发现对位取代的苯甲醛、肉桂醛和 2-萘醛是极好的底物，唾液和重组 ALDH 的动力学参数几乎相同。已经证明，对于荧光性萘醛，在唾液中孵育后唯一产生的反应产物是羧酸盐。
• Aromatic plane effect study in pseudorotaxane construction between ‘Texas-sized’ molecular box and carboxylate anions
  作者：Feng Tang、Rui Cao、Han-Yuan Gong

  DOI：10.1016/j.tetlet.2014.12.111

  日期：2015.2

  This study focused on the aromatic plane effect of the binding modes between 'Texas-sized' molecular box and carboxylate anion species. The molecular box, namely cyclo[2](2,6-di(1H-imidazol-1-yl)pyridine)-[2](1,4-dimethylenebenzene) (1(4+); studied as the PF6- salt), easily constructs interpenetrated structures (i.e., pseudorotaxanes) with carboxylate anions via the introduction of aromatic rings. As revealed by H-1 NMR titration, two-dimensional nuclear Overhauser effect spectroscopy (NOESY), UV-Vis spectroscopic study, and electrospray ionization mass spectrometry (ESI-MS), the determination effect of aromatic plane in the binding modes between 1(4+) and carboxylate anions was studied in detail. This research reveals the important role of aromatic plane substitute groups on anions for building anion-induced interpenetrated self-assembly structures. (C) 2015 Published by Elsevier Ltd.