2-氯-3,4,5-三甲氧基-苯甲酸 | 192940-83-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-氯-3,4,5-三甲氧基-苯甲酸
• 英文名称: 2-chloro-3,4,5-trimethoxybenzoic acid
• CAS: 192940-83-3
• 化学式: C₁₀H₁₁ClO₅
• 分子量: 246.647
• InChiKey: NGYVXKJAQGUOCJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  65
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-氯-3,4,5-三甲氧基-苯甲酸 在 氨 、 potassium carbonate 、 copper(I) bromide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 生成 2-氨基-3,4,5-三甲氧基苯甲酸
  参考文献：
  名称：

  An efficient solid phase synthetic route to 1,3-disubstituted 2,4(1H,3H)-Quinazolinediones suitable for combinatorial synthesis

  摘要：

  Novel, efficient solid phase chemistry has been developed for the synthesis of 1,3-disubstituted quinazolinediones. Anthranilic acids are linked to a chloroformate resin through the nitrogen, amines are coupled to the free carboxylic acid, and thermal cyclization leads to heterocycle formation and concommitant resin release resulting in traceless linkage. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/s0960-894x(96)00253-3
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 sodium acetate 、 丙酮 、 copper dichloride 作用下， 生成 2-氯-3,4,5-三甲氧基-苯甲酸
  参考文献：
  名称：

  Mayer; Fikentscher, Chemische Berichte, 1956, vol. 89, p. 511,517

  摘要：

  DOI：

文献信息

• 化合物及其用途
  申请人：清华大学

  公开号：CN105693634B

  公开（公告）日：2018-12-11

  本发明公开了化合物及其用途，其中，该化合物为式(I)所示化合物或者式(I)所示的化合物的立体异构体、药学可接受的盐、溶剂合物或前药，本发明的化合物能够通过效应RRM2抑制肿瘤细胞增殖，并抑制肿瘤干细胞的再生，从而能够有效用于制备预防或治疗增殖性疾病的药物，尤其是抗肿瘤的药物。
• Novel substituted 4-(1H-benzimidazol-2-yl) [1,4]diazepanes useful for the treatment of allergic diseases
  申请人：——

  公开号：US20010034343A1

  公开（公告）日：2001-10-25

  The present invention relates to novel 4-(1H-benzimidazol-2-yl)[1,4]diazepane derivatives of formula 1 and stereoisomers thereof, and pharmaceutically acceptable salts thereof which are useful as histamine receptor antagonists and tachykinin receptor antagonist. Such antagonists are useful in the treatment of allergic rhinitis, including seasonal rhinitis and sinusitis; inflammatory bowel diseases, including Crohn's disease and ulcerative colitis; asthma; bronchitis; and emesis.

  本发明涉及一种新颖的4-(1H-苯并咪唑-2-基)[1,4]二氮杂环庚烷衍生物及其立体异构体，以及其药学上可接受的盐，其作为组胺受体拮抗剂和速激肽受体拮抗剂具有用途。这些拮抗剂在过敏性鼻炎的治疗中有用，包括季节性鼻炎和鼻窦炎；炎症性肠病，包括克罗恩病和溃疡性结肠炎；哮喘；支气管炎；以及呕吐。
• Substituted 4-(1H-benzimidazol-2-yl)[1,4]diazepanes useful for the treatment of allergic disease
  申请人：Aventis Pharmaceuticals Inc.

  公开号：US06194406B1

  公开（公告）日：2001-02-27

  The present invention relates to novel 4-(1H-benzimidazol-2-yl)[1,4]diazepane derivatives of formula (1): and stereoisomers thereof, and pharmaceutically acceptable salts thereof which are useful as histamine receptor antagonists and tachykinin receptor antagonist. Such antagonists are useful in the treatment of allergic rhinitis, including seasonal rhinitis and sinusitis; inflammatory bowel diseases, including Crohn's disease and ulcerative colitis; asthma; bronchitis; and emesis.

  本发明涉及新颖的4-(1H-苯并咪唑-2-基)[1,4]二氮杂环庚烷衍生物的化合物（1）及其立体异构体，以及其药学上可接受的盐，这些化合物可用作组胺受体拮抗剂和速激肽受体拮抗剂。这些拮抗剂在过敏性鼻炎的治疗中很有用，包括季节性鼻炎和鼻窦炎；炎症性肠病，包括克罗恩病和溃疡性结肠炎；哮喘；支气管炎；以及呕吐。
• ORGANOMETALLIC COMPOUND PREPARATION
  申请人：Dixit Ravindra S.

  公开号：US20130211118A1

  公开（公告）日：2013-08-15

  A method of continuously manufacturing organometallic compounds is provided where two or more reactants are conveyed to a reactor having a laminar flow contacting zone, a heat transfer zone, and a mixing zone having a turbulence-promoting device; and causing the reactants to form the organometallic compound.

  提供一种连续制造有机金属化合物的方法，其中将两种或更多的反应物输送到具有层流接触区、传热区和具有促进湍流的混合区的反应器中；并使反应物形成有机金属化合物。
• Synthesis and In Vitro Protein Tyrosine Kinase Inhibitory Activity of Furan-2-yl(phenyl)methanone Derivatives
  作者：Fei Lang Zheng、Shu Rong Ban、Xiu E Feng、Cheng Xiao Zhao、Wenhan Lin、Qing Shan Li

  DOI：10.3390/molecules16064897

  日期：——

  A series of novel furan-2-yl(phenyl)methanone derivatives were synthesized, and their structures were established on the basis of 1H-NMR, 13C-NMR and mass spectral data. All the prepared compounds were screened for their in vitro protein tyrosine kinase inhibitory activity and several new derivatives exhibited promising activity, which, in some cases, was identical to, or even better than that of genistein, a positive reference compound. The preliminary structure-activity relationships of these compounds were investigated and are discussed.

  一系列新的呋喃-2-基（苯基）甲酮衍生物被合成，并根据1H-NMR、13C-NMR和质谱数据确定了其结构。所有合成的化合物均进行了体外蛋白酪氨酸激酶抑制活性的筛选，结果显示几种新的衍生物表现出良好的活性， 在某些情况下，其活性与参照化合物贱酰豆素相同，甚至更优。初步的结构-活性关系也进行了研究并进行了讨论。