2-amino-3,4-dimethoxy-benzoic acid methyl ester | 79025-27-7

• 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: 2-amino-3,4-dimethoxy-benzoic acid methyl ester
• 英文别名: 2-Amino-3,4-dimethoxy-benzoesaeure-methylester；methyl 2-amino-3,4-dimethoxybenzoate；Methyl-3,4-dimethoxyanthranilate；methyl 3,4-dimethoxyanthranilate
• CAS: 79025-27-7
• 化学式: C₁₀H₁₃NO₄
• 分子量: 211.218
• InChiKey: BMOUHIBNTQHOHN-UHFFFAOYSA-N

物化性质

• 熔点：
  69-70 °C
• 沸点：
  331.1±37.0 °C(Predicted)
• 密度：
  1.189±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  15
• 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：
  70.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-amino-3,4-dimethoxy-benzoic acid methyl ester 生成 2,3-dimethoxy-6-methoxycarbonyl-benzenediazonium; tetrafluoroborate
  参考文献：
  名称：

  Kaiser; Burger, Journal of the American Chemical Society, 1957, vol. 79, p. 4365,4369

  摘要：

  DOI：
• 作为产物：
  描述：

  2-氨基-3,4-二甲氧基苯甲酸 在 盐酸 作用下， 以 甲醇 、 水 为溶剂， 以82%的产率得到2-amino-3,4-dimethoxy-benzoic acid methyl ester
  参考文献：
  名称：

  Alkoxy-substituted-6-chloro-quinazoline-2,4-diones

  摘要：

  2,4-二氨基喹唑啉的化学式为##STR1##，其中Y.sup.1为氢或氯，Y.sup.2为OR，Y.sup.3为氢或OR，当Y.sup.1为氢时，Y.sup.3为OR，当Y.sup.1为氯时，Y.sup.3为氢或OR，以及其药用盐；R代表一个具有一至三个碳原子的烷基基团；单独取R.sup.1和R.sup.2分别为氢、具有一至五个碳原子的烷基、具有三至八个碳原子的环烷基、具有三至五个碳原子的烯基或炔基，或具有两至五个碳原子的羟基取代的烷基，当与它们连接的氮原子一起时，R.sup.1和R.sup.2形成一个取代或未取代的杂环基团，该基团可选地含有一个氧原子、硫原子或第二个氮原子作为环成员；它们作为降压药剂的用途，含有它们的药物组合物以及它们生产的中间体。

  公开号：

  US04287341A1

文献信息

• A Synthesis of 2'-Acetyl-5, 5', 6-trimethoxy-2-biphenylcarboxylic Acid
  作者：Shigeru Kobayashi、Chizuru Kuraishi

  DOI：10.1248/cpb.10.1137

  日期：——

  It has been found that the Friedel-Crafts reaction of 3-iodoanisole with acetyl chloride yielded, contrary to Oki's report, four products, 2'-hydroxy-4'-iodo-, 2'-iodo-4'-hydroxy, 2'-iodo-4'-methoxy-, and 2'-methoxy-4'-iodoacetophenone The Ullmann condensation of 2'-iodo-4'-methoxyacetophenone with methyl 2-bromoor2-iodo-veratrate, followed by hydrolysis, gave, in a poor yield, 2'-acetyl-5, 5'6-trimethoxy-2-biphenylcarboxylic acid which was characterized as its oxime as well as its methyl ester.

  与 Oki 的报告相反，3-碘苯甲醚与乙酰氯的 Friedel-Crafts 反应产生了四种产物，即 2'-羟基-4'-碘、2'-碘-4'-羟基、2'-碘-4'-甲氧基和 2'-甲氧基-4'-碘苯乙酮、2'-iodo-4'-methoxyacetophenone 与 2-bromoor2-iodo-veratrate 甲酯进行乌尔曼缩合，然后进行水解，得到了 2'-乙酰基-5,5'6-三甲氧基-2-联苯羧酸，收率很低。
• Quinoline derivatives and quinazoline derivatives
  申请人：KIRIN BEER KABUSHIKI KAISHA

  公开号：US20040209905A1

  公开（公告）日：2004-10-21

  An object of the present invention is to provide compounds which have antitumor activity and do not change cytomorphosis. Disclosed are compounds represented by formula (I) and a pharmaceutically acceptable salts and solvates thereof and pharmaceutical compositions comprising said compounds: 1 wherein X and Z each independently represent CH or N; R 1 to R 3 represent H, substituted alkoxy, unsubstituted alkoxy or the like; R 4 represents H; R 5 to R 8 represent H, halogen, alkyl, alkoxy, alkylthio, nitro, or amino, provided that R 5 to R 8 do not simultaneously represent H; R 9 and R 10 represent H, alkyl, or alkylcarbonyl; and R 11 represents alkyl, alkenyl, alkynyl, or aralkyl.

  本发明的目的是提供具有抗肿瘤活性且不改变细胞形态的化合物。本发明揭示了由式（I）表示的化合物，以及其药学上可接受的盐和溶剂和包含所述化合物的制药组合物：1其中X和Z各自独立地表示CH或N; R1至R3表示H、取代烷氧基、未取代烷氧基或类似物; R4表示H; R5至R8表示H、卤素、烷基、烷氧基、烷基硫基、硝基或氨基，但要求R5至R8不同时表示H; R9和R10表示H、烷基或烷基羰基; 而R11表示烷基、烯基、炔基或芳基烷基。
• Chloro- and alkoxy-substituted-2-chloro-4-aminodquinazolines
  申请人：Pfizer Inc.

  公开号：US04351940A1

  公开（公告）日：1982-09-28

  2,4-Diaminoquinazolines of the formula ##STR1## wherein Y.sup.1 is hydrogen or chloro, Y.sup.2 is OR, Y.sup.3 is hydrogen or OR such that when Y.sup.1 is hydrogen, Y.sup.3 is OR and when Y.sup.1 is chloro, Y.sup.3 is hydrogen or OR, and the pharmaceutically acceptable salts thereof; R represents an alkyl group having from one to three carbon atoms; taken separately, R.sup.1 and R.sup.2 are each hydrogen, alkyl having from one to five carbon atoms, cycloalkyl having from three to eight carbon atoms, alkenyl or alkynyl each having from three to five carbon atoms or hydroxy substituted alkyl having from two to five carbon atoms, when taken together with the nitrogen atom to which they are attached R.sup.1 and R.sup.2 form a substituted or unsubstituted heterocyclic group optionally containing an atom of oxygen, sulfur or a second atom of nitrogen as a ring member; their use as antihypertensive agents, pharmaceutical compositions containing them and intermediates for their production.

  公式为 ##STR1## 的2,4-二氨基喹嗪，其中Y1为氢或氯，Y2为OR，Y3为氢或OR，当Y1为氢时，Y3为OR，当Y1为氯时，Y3为氢或OR，以及其药学上可接受的盐；R代表具有1至3个碳原子的烷基；分别取R1和R2为氢、具有1至5个碳原子的烷基、具有3至8个碳原子的环烷基、具有3至5个碳原子的烯基或炔基或具有2至5个碳原子的羟基取代的烷基，当它们与它们所连接的氮原子一起取用时，R1和R2形成一个取代或未取代的杂环基，可选地含有一个氧原子、硫原子或第二个氮原子作为环成员；它们作为降压剂的用途，包含它们的制药组合物和它们制备的中间体。
• Chloro- and alkoxy-substituted-2,4-diaminoquinazolines
  申请人：Pfizer Inc.

  公开号：US04377581A1

  公开（公告）日：1983-03-22

  2,4-Diaminoquinazolines of the formula ##STR1## wherein Y.sup.1 is hydrogen or chloro, Y.sup.2 is OR, Y.sup.3 is hydrogen or OR such than when Y.sup.1 is hydrogen, Y.sup.3 is OR and when Y.sup.1 is chloro, Y.sup.3 is hydrogen or OR, and the pharmaceutically acceptable salts thereof; R represents an alkyl group having from one to three carbon atoms; taken separately, R.sup.1 and R.sup.2 are each hydrogen, alkyl having from one to five carbon atoms, cycloalkyl having from three to eight carbon atoms, alkenyl or alkynyl each having from three to five carbon atoms or hydroxy substituted alkyl having from two to five carbon atoms, when taken together with the nitrogen atom to which they are attached R.sup.1 and R.sup.2 form a substituted or unsubstituted heterocyclic group optionally containing an atom of oxygen, sulfur or a second atom of nitrogen as a ring member; their use as antihypertensive agents, pharmaceutical compositions containing them and intermediates for their production.

  该专利描述了式子##STR1##中Y.sup.1是氢或氯，Y.sup.2是OR，Y.sup.3是氢或OR，当Y.sup.1是氢时，Y.sup.3是OR，当Y.sup.1是氯时，Y.sup.3是氢或OR。其中R代表一个由一个到三个碳原子组成的烷基；R.sup.1和R.sup.2分别为氢、由一个到五个碳原子组成的烷基、由三到八个碳原子组成的环烷基、由三到五个碳原子组成的烯基或炔基或在有机取代的情况下，为由两个到五个碳原子组成的羟基取代的烷基。当它们与它们所连接的氮原子一起取代时，R.sup.1和R.sup.2形成一个取代或未取代的杂环基，该杂环基可以选择性地包含一个氧原子、硫原子或第二个氮原子作为环成员。该专利还涉及这些化合物作为降压剂的用途，包含它们的制药组合物以及它们的中间体的生产。
• Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture
  申请人：Rice Kenneth D.

  公开号：US20140080810A1

  公开（公告）日：2014-03-20

  The invention is directed to Compounds of Formula I: (I) and pharmaceutically acceptable salts or solvates thereof, as well as methods of treating using the compounds, methods for screening for inhibitor compounds and methods for identifying treatment regimens.

  本发明涉及化合物I式：（I）及其药学上可接受的盐或溶剂化物，以及使用该化合物进行治疗的方法，筛选抑制剂化合物的方法和确定治疗方案的方法。