3,4-dihydroxyphenylglyoxal | 29477-55-2

• 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: 3,4-dihydroxyphenylglyoxal
• 英文别名: 2-(3,4-dihydroxyphenyl)-2-oxoacetaldehyde
• CAS: 29477-55-2
• 化学式: C₈H₆O₄
• 分子量: 166.133
• InChiKey: KAHDPCMFBOFNRC-UHFFFAOYSA-N

物化性质

• 沸点：
  378.8±42.0 °C(Predicted)
• 密度：
  1.442±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3,4-dihydroxyphenylglyoxal 、 异丙胺 在 乙醇 、 钯 作用下， 生成 异丙基肾上腺酮
  参考文献：
  名称：

  Fodor et al., Acta Chimica Academiae Scientiarum Hungaricae, 1951, vol. 1, p. 149,156

  摘要：

  DOI：
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 1,4-二氧六环 、 selenium(IV) oxide 作用下， 生成 3,4-dihydroxyphenylglyoxal
  参考文献：
  名称：

  Fodor; Kovacs, Journal of the American Chemical Society, 1949, vol. 71, p. 1045,1047

  摘要：

  DOI：

文献信息

• [EN] PROCESS FOR PREPARATION OF (DL) -NOREPINEPHRINE ACID ADDITION SALT, A KEY INTERMEDIATE OF (R) - (-) - NOREPINEPHRINE<br/>[FR] PROCÉDÉ DE PRÉPARATION D'UN SEL D'ADDITION D'ACIDE DE NORÉPINÉPHRINE (DL), INTERMÉDIAIRE CLÉ DE LA NORÉPINÉPHRINE (R) - (-) -
  申请人：NEON LAB LTD

  公开号：WO2013008247A1

  公开（公告）日：2013-01-17

  The invention discloses a process for preparation of (dl)-norepinephrine salt by reacting 3,4-dihydroxy-a-haloacetophenone with hexamethylenetetramine to provide hexamine salt; followed by hydrolysis and hydrogenation. The invention also discloses a novel intermediate formed in the process and its synthesis.

  该发明揭示了一种制备(dl)-去甲肾上腺素盐的方法，通过将3,4-二羟基-α-卤代乙酰苯酮与六亚甲基四胺反应以提供六胺盐；随后进行水解和氢化。该发明还揭示了该过程中形成的一种新型中间体及其合成方法。
• Process for the preparation of l-Norepinephrine bitartrate monohydrate having high enantiomeric purity
  申请人：HARMAN FINOCHEM LIMITED

  公开号：US10865180B2

  公开（公告）日：2020-12-15

  The present invention, discloses optically pure compounds of l-Norepinephrine and its acid addition salts and hydrates and process for the preparation thereof. Specifically, the present invention discloses optically pure compounds of l-Norepinephrine bitartrate, its process of preparation and pharmaceutical compositions comprising the same.

  本发明公开了光学纯的l-去甲肾上腺素化合物及其酸加成盐和水合物及其制备工艺。具体而言，本发明公开了酒石酸去甲肾上腺素的光学纯化合物、其制备工艺以及包含这些化合物的药物组合物。
• Discovery of 3,3‘-(2,4-Diaminopteridine-6,7-diyl)diphenol as an Isozyme-Selective Inhibitor of PI3K for the Treatment of Ischemia Reperfusion Injury Associated with Myocardial Infarction
  作者：Moorthy S. S. Palanki、Elena Dneprovskaia、John Doukas、Richard M. Fine、John Hood、Xinshan Kang、Dan Lohse、Michael Martin、Glenn Noronha、Richard M. Soll、Wolfgang Wrasidlo、Shiyin Yee、Hong Zhu

  DOI：10.1021/jm051056c

  日期：2007.9.1

  In studies aimed toward identifying effective and safe inhibitors of kinase signaling cascades that underlie ischemia/reperfusion (I/R) injury, we synthesized a series of pteridines and pyridopyrazines. The design strategy was inspired by the examination of naturally occurring PI3K inhibitors such as wortmannin and quercetin, and building a pharmacophore-based model used for optimization. Structural modifications led to hybrid molecules which incorporated aminopyrimidine and aminopyridine moieties with ATP mimetic characteristics into the pharmacophore motifs to modulate kinase affinity and selectivity. Elaborations involving substitutions of the 2 and 4 positions of the pyrimidine or pyridine ring and the 6 and 7 positions of the central pyrazine ring resulted in in vivo activity profiles which identified potent inhibitors of vascular endothelial growth factor (VEGF) induced vascular leakage. Pathway analysis identified a diaminopteridine-diphenol as a potent and selective phosphatidylinositol-3-kinase (PI3K) inhibitor. The structure -activity relationship studies of various analogues of diaminopteridine-diphenol-based on biochemical assays resulted in potent inhibitors of PI3K.
• Fodor et al., Acta Chimica Academiae Scientiarum Hungaricae, 1951, vol. 1, p. 395,399
  作者：Fodor et al.

  DOI：——

  日期：——
• PROCESS FOR THE PREPARATION OF l-NOREPINEPHRINE BITARTRATE MONOHYDRATE HAVING HIGH ENANTIOMERIC PURITY
  申请人：HARMAN FINOCHEM LIMITED

  公开号：US20200048185A1

  公开（公告）日：2020-02-13

  The present invention, discloses optically pure compounds of l-Norepinephrine and its acid addition salts and hydrates and process for the preparation thereof. Specifically, the present invention discloses optically pure compounds of l-Norepinephrine bitartrate, its process of preparation and pharmaceutical compositions comprising the same.