4-amino-3-methylbenzoic acid hydrochloride

• 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: 4-amino-3-methylbenzoic acid hydrochloride
• 英文别名: 4-amino-3-methylbenzoic acid;hydrochloride
• 化学式: C₈H₉NO₂*ClH
• 分子量: 187.626
• InChiKey: YPLKKXREUQXWBK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  63.3
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-amino-3-methylbenzoic acid hydrochloride 、 氰胺 在 丙酮 、 乙醇 、 乙酸乙酯 、 4-guanidino-3-methylbenzoic acid hydrochloride 作用下， 以 乙醇 为溶剂， 反应 16.0h， 以to obtain 8.9 g of white granular crystals of 4-guanidino-3-methylbenzoic acid hydrochloride的产率得到4-guanidino-3-methylbenzoic acid hydrochloride
  参考文献：
  名称：

  Amidine compound

  摘要：

  式为##STR1##的氨基甲酸化合物及其药学上可接受的酸盐是新颖的化合物，可用作强效的抗胰蛋白酶、抗纤溶酶、抗激肽酶和抗凝血酶剂。具有强大的抗C1（C1r、C1s）活性和抗补体活性，它们也可用作抗补体剂。这些氨基甲酸化合物是通过将式为##STR2##的羧酸化合物常规酯化与6-氨基-2-萘酚反应制备而成，必要时可以转化为其药学上可接受的酸盐。

  公开号：

  US04454338A1
• 作为产物：
  描述：

  4-氨基-3-甲基苯甲酸 在 盐酸 作用下， 以 水 为溶剂， 生成 4-amino-3-methylbenzoic acid hydrochloride
  参考文献：
  名称：

  Organoimido-Derivatized Hexamolybdates with a Remote Carboxyl Group: Syntheses and Structural Characterizations

  摘要：

  Four novel organoimido derivatives of hexamolybdate containing a remote carboxyl group have been synthesized: [Bu4N](2)[Mo6O18(N-C6H4-3-COOH)] (1), [Bu4N](2)[Mo6O18(N-C6H4-2-CH3-4-COOH)] (2), [B4N](2)[Mo6O18(N-C6H4-2-CH3-5-COOH)] (3), and [Bu4N](2)[Mo6O18(N-C6H4-2-CH3-3-COOH)] (4) with 3-aminobenzoic acid, 4-amino-3-methylbenzoic acid, 3-ammo-4-methylbenzoic acid, and 3-amino-2-methylbenzoic acid as the imido-releasing agents, respectively. Their structures have been characterized by IR, UV-vis, H-1 NMR, ESI-MS, and single-crystal X-ray diffraction techniques. Hydrogen bonding interactions play an important role in the supramolecular assemblies of these compounds in the solid state. Although the incorporated organic ligands are similar to each other, their supramolecular assembly behaviors are quite different. For compound 1, the dimer structure is formed via hydrogen bonding between the carboxyl group and the POM cluster of two neighboring cluster anions. For compound 2, the 1D chain structure is formed via hydrogen bonding between the carboxyl groups and the POM clusters of the cluster anions. For compound 3, the 2D plane structure is formed via two types of hydrogen bonding between the aromatic rings and the POM clusters of the cluster anions. For compound 4, the 1D plus 2D structures are formed via three types of hydrogen bonding between the aromatic rings and the POM clusters of the two types of cluster anions with different orientations.

  DOI：

  10.1021/ic4005278

文献信息

• Novel amidine compounds, process for producing same and anti-complement agent comprising them
  申请人：TORII & CO., LTD.

  公开号：EP0048433B1

  公开（公告）日：1986-05-28
• US4454338A
  申请人：——

  公开号：US4454338A

  公开（公告）日：1984-06-12
• US4532255A
  申请人：——

  公开号：US4532255A

  公开（公告）日：1985-07-30