3-methyl-4-methylamino-benzoic acid | 153304-74-6

• 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-methyl-4-methylamino-benzoic acid
• 英文别名: 3-Methyl-4-methylamino-benzoesaeure；4-Methylamino-m-toluylsaeure；3-methyl-4-methylaminobenzoic acid；4-methylamino-3-methylbenzoic acid；3-Methyl-4-(methylamino)benzoic acid
• CAS: 153304-74-6
• 化学式: C₉H₁₁NO₂
• 分子量: 165.192
• InChiKey: DGLLZNHDQKJWNY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  49.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-methyl-4-methylamino-benzoic acid 在 硫酸 、 sodium nitrite 作用下， 生成 3-methyl-4-(methyl-nitroso-amino)-benzoic acid
  参考文献：
  名称：

  Houben; Schottmueller; Freund, Chemische Berichte, 1909, vol. 42, p. 4492

  摘要：

  DOI：
• 作为产物：
  描述：

  methyl 3-methyl-4-methylaminobenzoate 在 sodium hydroxide 、 水 、 盐酸 作用下， 以 乙醇 、 水 为溶剂， 反应 5.0h， 生成 3-methyl-4-methylamino-benzoic acid
  参考文献：
  名称：

  THERAPEUTIC AGENT FOR RESPIRATORY DISEASE CONTAINING 4-HYDROXYPIPERIDINE DERIVATIVE AS ACTIVE INGREDIENT

  摘要：

  公开号：

  EP1568688B1

文献信息

• Methotrexate derivatives
  申请人：CHUGAI SEIYAKU KABUSHIKI KAISHA

  公开号：US20030171376A1

  公开（公告）日：2003-09-11

  Antirheumatic agent containing as an active ingredient a compound resented by the following general formula (II): 1 {where W is a group represented by the general formula: 2 [where R 1 is a lower alkyl group having 1-4 carbon atoms; R 2 is a lower alkyl group having 1-4 carbon atoms or a trifluoromethyl group; R 3 is a hydrogen atom, a lower alkyl group having 1-4 carbon atoms or a trifluoromethyl group; R 4 is a hydrogen atom or a lower alkyl group having 1-4 carbon atoms: R 5 is a group represented by the general formula COOR 6 (where R 6 is a hydrogen atom or a lower alkyl group having 1-4 carbon atoms) or a group represented by the formula SO 3 H; and n is an integer of 1-4) or the general formula: 3 {where R7 is a lower alkyl group having 1-4 carbon atoms; R 8 is a hydrogen atom or a lower alkyl group having 1-4 carbon atoms; R 9 is a group represented by the general formula COOR 10 (where R 10 is a hydrogen atom or a lower alkyl group having 1-4 carbon atoms) or a group represented by the formula SO 3 H; and m is an integer of 1-4], or the general formula: 4 [where R 11 is a hydrogen atom or a lower alkyl group having 1-4 carbon atoms; R 12 is a hydrogen atom or a lower alkyl group having 1-4 carbon atoms; R 13 is a group represent by the general formula COOR 14 (where R 14 is a hydrogen atom or a lower alkyl group having 1-4 carbon atoms) or a group represented by the formula SO 3 H; and l is an integer of 1 4], or the general formula: 5 [where R 15 is a hydrogen atom or a lower alkyl group having 1-4 carbon atoms; R 16 is a hydrogen atom or a lower alkyl group having 1-4 carbon atoms; and k is an integer of 2 or 3]}. All compounds represented by the general formula (II) 5 are novel except in the case where k is 2.

  抗风湿药物的活性成分是一种由以下通式（II）表示的化合物：1{其中W是由通式2表示的基团[其中R1是具有1-4个碳原子的低碳基基团；R2是具有1-4个碳原子的低碳基基团或三氟甲基基团；R3是氢原子，具有1-4个碳原子的低碳基基团或三氟甲基基团；R4是氢原子或具有1-4个碳原子的低碳基基团：R5是由通式COOR6（其中R6是氢原子或具有1-4个碳原子的低碳基基团）表示的基团或由式SO3H表示的基团；n是1-4的整数]或通式3{其中R7是具有1-4个碳原子的低碳基基团；R8是氢原子或具有1-4个碳原子的低碳基基团；R9是由通式COOR10（其中R10是氢原子或具有1-4个碳原子的低碳基基团）表示的基团或由式SO3H表示的基团；m是1-4的整数]，或通式4[其中R11是氢原子或具有1-4个碳原子的低碳基基团；R12是氢原子或具有1-4个碳原子的低碳基基团；R13是由通式COOR14（其中R14是氢原子或具有1-4个碳原子的低碳基基团）表示的基团或由式SO3H表示的基团；l是1-4的整数]，或通式5[其中R15是氢原子或具有1-4个碳原子的低碳基基团；R16是氢原子或具有1-4个碳原子的低碳基基团；k是2或3的整数]}。除k为2的情况外，由通式（II）5表示的所有化合物均为新颖的。
• Therapeutic agent for treating respiratory diseases containing 4-hydroxypiperidine derivative as active ingredient
  申请人：Akada Yasushige

  公开号：US20060040985A1

  公开（公告）日：2006-02-23

  An agent for preventing/treating respiratory diseases contains, as an active ingredient, a compound represented by following Formula (I): wherein A is a group represented by L-W [wherein L is a bond or CH 2 ; and W is O, SOn (wherein n is 0 to 2), or —NR 7 — (wherein R 7 is hydrogen or lower alkyl)]; each of G 1 and G 2 is (CH 2 )r (wherein r is 0 to 2), provided that when n is 1, G 1 and G 2 may be bridged by lower alkylene; Y is a lower alkylene or (substituted) benzylidene; Z is a bond or O, provided that when Z is a bond, Y may form a 5- or 6-membered ring with carbon on the benzene ring; R 1 is, for example, NO 2 , a lower alkoxycarbonyl, (substituted) carbamoyl, (protected) hydroxyl group, (protected) carboxyl, or (protected) N-hydroxycarbamoyl; each of R 2 and R 3 is hydrogen, halogen, (halogenated) lower alkyl, (halogenated) lower alkoxy or NO 2 ; each of R 4 and R 5 is, for example, hydrogen, halogen, (halogenated) lower alkyl, (halogenated) lower alkoxy, CN, or lower alkylsulfonyl; and R 6 is hydrogen or lower alkyl, a salt thereof or a solvate of them. It has excellent antitussive activity when used as an agent for preventing/treating respiratory diseases such as lung cancer, common cold syndrome, pulmonary tuberculosis, pneumonia, acute bronchitis or chronic bronchitis.

  一种用于预防/治疗呼吸系统疾病的药剂，其活性成分为以下式(I)所表示的化合物：其中A是由L-W表示的基团[其中L是键或CH2; W是O，SO n（其中n为0至2），或—NR7—（其中R7是氢或较低烷基）]；G1和G2分别为( )r（其中r为0至2），但当n为1时，G1和G2可以由较低的烷基桥接；Y是较低的烷基或（取代的）苯甲亚基；Z是键或O，但当Z为键时，Y可以与苯环上的碳形成5-或6-成员环；R1为NO2、较低的烷氧羰基、（取代的）氨基甲酰基、（保护的）羟基、（保护的）羧基或（保护的）N-羟基氨基甲酰基；R2和R3分别为氢、卤素、（卤代的）较低烷基、（卤代的）较低烷氧基或 ；R4和R5分别为氢、卤素、（卤代的）较低烷基、（卤代的）较低烷氧基、CN或较低烷基磺酰基；R6为氢或较低烷基，其盐或溶剂也可以使用。当用作预防/治疗肺癌、普通感冒综合症、肺结核、肺炎、急性支气管炎或慢性支气管炎等呼吸系统疾病的药剂时，具有优异的止咳活性。
• METHOTREXATE DERIVATIVE
  申请人：Chugai Seiyaku Kabushiki Kaisha

  公开号：EP0632038A1

  公开（公告）日：1995-01-04

  A compound represented by general formula (II) and an antirheumatic containing the same as the active ingredient, wherein W represents a group represented by any of the general formulae (III, (IV), (V), (VI).

  由通式(II)代表的化合物和含有该化合物作为活性成分的抗风湿剂，其中 W 代表由通式(III、(IV)、(V)、(VI)中任何一个所代表的基团。
• Houben; Freund, Chemische Berichte, 1913, vol. 46, p. 3836
  作者：Houben、Freund

  DOI：——

  日期：——
• US6559149B1
  申请人：——

  公开号：US6559149B1

  公开（公告）日：2003-05-06