(5-bromo-2-hydroxy-benzylidene)-malonic acid | 854847-10-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: (5-bromo-2-hydroxy-benzylidene)-malonic acid
• 英文别名: (5-Brom-2-hydroxy-benzyliden)-malonsaeure；2-[(5-Bromo-2-hydroxyphenyl)methylidene]propanedioic acid
• CAS: 854847-10-2
• 化学式: C₁₀H₇BrO₅
• 分子量: 287.067
• InChiKey: LDNMZYNRJWFXCB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  94.8
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (5-bromo-2-hydroxy-benzylidene)-malonic acid 生成 (E)-3-(5-bromo-2-hydroxyphenyl)acrylic acid
  参考文献：
  名称：

  Pandya; Pandya, Proceedings - Indian Academy of Sciences, Section A, 1943, # 18, p. 164,166

  摘要：

  DOI：
• 作为产物：
  描述：

  水杨醛 在 吡啶 、 溴 、 溶剂黄146 作用下， 生成 (5-bromo-2-hydroxy-benzylidene)-malonic acid
  参考文献：
  名称：

  Pandya; Pandya, Proceedings - Indian Academy of Sciences, Section A, 1943, # 18, p. 164,166

  摘要：

  DOI：

文献信息

• CONDENSATION PRODUCT OF THEANINE DERIVATIVE AND CARBOXYLIC ACID COUMARIN DERIVATIVE, ITS INTERMEDIATE, PREPARATION METHOD AND USE THEREOF
  申请人：SHANDONG YINGDONG YINGHAO BIOTECHNOLOGY, INC.

  公开号：US20150239861A1

  公开（公告）日：2015-08-27

  The present invention relates to a compound as represented by formula (I), which is a condensation product of a theanine derivative and a carboxylic acid coumarin derivative, compounds as represented by formula (II) and formula (III), both of which are intermediates of the condensation product, a method for preparing these compounds, a pharmaceutical composition comprising the compounds, and a use thereof in preparing a medicament for prevention and treatment of tumors, inflammation, cardiovascular diseases, immune deficiency diseases and the like. Wherein, (Ia) R═CH 3 R 1 ═H R 2 ═H (Ib) R═CH 2 CH 3 R 1 ═H R 2 ═H (Ic) R═CH 2 CH 3 R 1 ═Cl R 2 ═H (Id) R═CH 2 CH 3 R 1 ═Br R 2 ═H (Ie) R═CH 2 CH 3 R 1 ═F R 2 ═H (If) R═CH 2 CH 3 R 1 ═NO 2 R 2 ═H (Ig) R═CH 2 CH 3 R 1 ═Cl R 2 ═Cl (Ih) R═CH 2 CH 3 R 1 ═Br R 2 ═Br (Ii) R═CH 2 CH 3 R 1 ═NH 2 R 2 ═H Wherein, (IIa) R═CH 3 (IIb) R═CH 2 CH 3 Wherein, (IIIc) R 1 ═Cl R 2 ═H (IIId) R 1 ═Br R 2 ═H (IIIe) R 1 ═F R 2 ═H (IIIf) R 1 ═NO 2 R 2 ═H (IIIg) R 1 ═Cl R 2 ═Cl (IIIh) R 1 ═Br R 2 ═Br

  本发明涉及一种由茶氨酸衍生物和羧酸香豆素衍生物缩合而成的式（I）化合物，以及式（II）和式（III）化合物，它们都是缩合产物的中间体，制备这些化合物的方法，包含这些化合物的药物组合物，以及它们在制备预防和治疗肿瘤、炎症、心血管疾病、免疫缺陷病等药物中的用途。其中，（Ia）R = CH3，R1 = H，R2 = H；（Ib）R = CH2 ，R1 = H，R2 = H；（Ic）R = CH2 ，R1 = Cl，R2 = H；（Id）R = CH2 ，R1 = Br，R2 = H；（Ie）R = CH2 ，R1 = F，R2 = H；（If）R = CH2 ，R1 = NO2，R2 = H；（Ig）R = CH2 ，R1 = Cl，R2 = Cl；（Ih）R = CH2 ，R1 = Br，R2 = Br；（Ii）R = CH2 ，R1 = NH2，R2 = H。其中，（IIa）R = ；（IIb）R = CH2 。其中，（IIIc）R1 = Cl，R2 = H；（IIId）R1 = Br，R2 = H；（IIIe）R1 = F，R2 = H；（IIIf）R1 = ，R2 = H；（IIIg）R1 = Cl，R2 = Cl；（IIIh）R1 = Br，R2 = Br。
• CONDENSATION PRODUCT OF THEANINE DERIVATIVE AND CARBOXYLIC ACID COUMARIN DERIVATIVE, INTERMEDIATE OF THE CONDENSATION PRODUCT, METHOD FOR PREPARING SAME, AND USE THEREOF
  申请人：Yantai University

  公开号：EP2902388A1

  公开（公告）日：2015-08-05

  The present invention relates to a compound as represented by formula (I), which is a condensation product of a theanine derivative and a carboxylic acid coumarin derivative, compounds as represented by formula (II) and formula (III), both of which are intermediates of the condensation product, a method for preparing these compounds, a pharmaceutical composition comprising the compounds, and a use thereof in preparing a medicament for prevention and treatment of tumors, inflammation, cardiovascular diseases, immune deficiency diseases and the like. Wherein, Wherein, Wherein.

  本发明涉及一种由式(I)表示的化合物，它是一种茶氨酸衍生物和一种羧酸香豆素衍生物的缩合产物；由式(II)和式(III)表示的化合物，它们都是该缩合产物的中间体；一种制备这些化合物的方法；一种包含这些化合物的药物组合物；以及其在制备预防和治疗肿瘤、炎症、心血管疾病、免疫缺陷疾病等的药物中的用途。 其中， 其中， 其中， 其中。
• US9518038B2
  申请人：——

  公开号：US9518038B2

  公开（公告）日：2016-12-13