5-aminomethyl-2-furancarboxylic acid hydrochloride salt | 51521-95-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5-aminomethyl-2-furancarboxylic acid hydrochloride salt
• 英文别名: 5-aminomethyl-furan-2-carboxylic acid ; hydrochloride；5-Aminomethyl-furan-2-carbonsaeure; Hydrochlorid；5-aminomethyl-2-furancarboxylic acid hydrochloride；5-(Aminomethyl)furan-2-carboxylic acid hydrochloride；5-(aminomethyl)furan-2-carboxylic acid;hydrochloride
• CAS: 51521-95-0
• 化学式: C₆H₇NO₃*ClH
• mdl: MFCD20731136
• 分子量: 177.587
• InChiKey: VZBDETJVJSTWPP-UHFFFAOYSA-N

物化性质

• 熔点：
  245 °C

计算性质

• 辛醇/水分配系数(LogP)：
  -2.53
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  76.5
• 氢给体数：
  3
• 氢受体数：
  4

安全信息

• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  2,4-dichloro-5-(methylsulfonyl)benzoic acid 、 5-aminomethyl-2-furancarboxylic acid hydrochloride salt 在 盐酸 、 碳酸氢钠 、 三乙胺 作用下， 生成 2-(5-carboxyfurfurylamino)-4-chloro-5-methylsulfonylbenzoic acid
  参考文献：
  名称：

  3-Amino-5-sulfonylbenzoic acids

  摘要：

  描述了具有利尿和排盐作用的结构为##SPC1##的氨基苯甲酸。这些化合物通过其2-卤代物的酰胺化或自由氨基化合物的烷基化制备。

  公开号：

  US03953476A1
• 作为产物：
  描述：

  5-羟甲基-2-呋喃甲酸 在 盐酸 、 sodium azide 作用下， 以 甲醇 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 45.0h， 生成 5-aminomethyl-2-furancarboxylic acid hydrochloride salt
  参考文献：
  名称：

  Furfurylamines from biomass: transaminase catalysed upgrading of furfurals

  摘要：

  使用转氨酶的生物催化方法已被用于产生一系列产量较高的呋喃胺。

  DOI：

  10.1039/c6gc02241c

文献信息

• Synthesis and evaluation of novel heteroaromatic substrates of GABA aminotransferase
  作者：Dustin D. Hawker、Richard B. Silverman

  DOI：10.1016/j.bmc.2012.08.009

  日期：2012.10

  Two principal neurotransmitters are involved in the regulation of mammalian neuronal activity, namely, gamma-aminobutyric acid (GABA), an inhibitory neurotransmitter, and L-glutamic acid, an excitatory neurotransmitter. Low GABA levels in the brain have been implicated in epilepsy and several other neurological diseases. Because of GABA's poor ability to cross the blood-brain barrier (BBB), a successful strategy to raise brain GABA concentrations is the use of a compound that does cross the BBB and inhibits or inactivates GABA aminotransferase (GABA-AT), the enzyme responsible for GABA catabolism. Vigabatrin, a mechanism-based inactivator of GABA-AT, is currently a successful therapeutic for epilepsy, but has harmful side effects, leaving a need for improved GABA-AT inactivators. Here, we report the synthesis and evaluation of a series of heteroaromatic GABA analogues as substrates of GABA-AT, which will be used as the basis for the design of novel enzyme inactivators. (C) 2012 Elsevier Ltd. All rights reserved.
• Reactions of alkyl (halomethyl)furancarboxylates with hexamethylenetetramine
  作者：I. M. Lapina、L. M. Pevzner、A. A. Potekhin

  DOI：10.1134/s1070363206080251

  日期：2006.8

  All isomers of (aminomethyl)furancarboxylic acids were prepared by the Delepine reaction from alkyl (halomethyl)furancarboxylates. Treatment of the initially formed quaternary salt with an ethanolic HCl solution yielded the salts of the corresponding unstable amino acid esters. A procedure for their purification to a high degree of purity was developed. Hydrolysis of the crude esters yielded stable amino acid salts.
• CYCLIC COMPOUNDS LINKED BY A HETEROCYCLIC RING USEFUL AS INHIBITORS OF PLATELET GLYCOPROTEIN IIb/IIIa
  申请人：THE DU PONT MERCK PHARMACEUTICAL COMPANY

  公开号：EP0672059A1

  公开（公告）日：1995-09-20
• US3953476A
  申请人：——

  公开号：US3953476A

  公开（公告）日：1976-04-27
• US5773411A
  申请人：——

  公开号：US5773411A

  公开（公告）日：1998-06-30