2-[(Methoxyamino)sulfonyl]benzoic acid | 170275-12-4

• 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-[(Methoxyamino)sulfonyl]benzoic acid
• 英文别名: 2-(methoxysulfamoyl)benzoic acid
• CAS: 170275-12-4
• 化学式: C₈H₉NO₅S
• 分子量: 231.23
• InChiKey: MDVKHSJMAVRIKX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  101
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• [EN] A PROCESS FOR SYNTHESIS OF HETEROCYCLIC AMINOALKYL BENZAMIDES<br/>[FR] PROCEDE RELATIF A LA SYNTHESE DE BENZAMIDES D'AMINOALKYLE HETEROCYCLIQUES
  申请人：FARMACEUTSKO HEMIJSKA IND ZDRA

  公开号：WO2003055857A1

  公开（公告）日：2003-07-10

  The simple, new, original and convenient for use, procedure for obtaining of compounds, belonging to the group of $i(heterocyclic aminoalkyl benzamides) of general formula 1, is developed, and/or salts and/or hydrates and/or optical isomers thereof, wherein R1 and R2 denote C1-C4 $i(alkyl) group, R3 denotes an $i(aminosulphonyl) group, denotes a $i(hydrogen) atom or an $i(amino) group, R5 denotes a $i(hydrogen) or a $i(halogen) atom, and and the coefficients $i(m )and $i(n) have value of 1 and/or 2. Of a particular interest in clinical practice are: $i(sulpiride )(RS, R+ or S-)-(5-$i(aminosulphonyl))-N-/(1-$i(ethyl)-2-$i(pyrrolidinyl))$i(methyl)/-2-$i(methoxybenzamide)) and sulmepride (RS, R+ or S-)-(5-($i(aminosulphonyl))-2-$i(methoxy)-N-/-(1-$i(methyl-)2-$i(pyrrolidinyl)methyl/benzamide)). The compounds belonging to this group are used in therapy as: antipsychotics, anti depressives and anti emetics, fungicides, for contraceptive mixtures, in treatment of sterility, as radiopharmaceutical compositions in nuclear medicine, in treatment of migraine of various origins, as well as in treatment of parkinsonism. The advantage of the present invention is in its completely new and simple way to carry out the synthesis of $i(heterocyclic aminoalkyl benzamides )and/or salts and/or hydrates thereof, through reaction of $i(2-alcoxy-5-suiphamoyl-alkyl benzoate )with the corresponding (RS R+ or S-) heterocyclic amine. )Lower temperature of rection and work at atmospheric pressure without catalysts, performing the reaction in cheaper and safer organic solvents, i obtaining the final product which does not require any additional purification, achieving of I good yield and high quality of the final product, cheaper procedure for industrial use and obtaining of the product of high pharmacopeic purity.

  一种简单、新颖、原创且方便使用的程序，用于获取属于$i（杂环氨基烷基苯甲酰胺）一般式1组化合物，以及/或其盐和/或水合物和/或其光学异构体，其中R1和R2表示C1-C4的$i（烷基）基团，R3表示$i（氨基磺酰基）基团，表示$i（氢）原子或$i（氨基）基团，R5表示$i（氢）或$i（卤素）原子，系数$i（m）和$i（n）的值为1和/或2。在临床实践中特别感兴趣的是：$i（舒必利）（RS、R+或S-）-（5-$i（氨基磺酰基））-N-/(1-$i（乙基）-2-$i（吡咯烷基）)$i（甲基）/-2-$i（甲氧基苯甲酰胺）和舒美必利（RS、R+或S-）-（5-($i（氨基磺酰基））-2-$i（甲氧基）-N-/-(1-$i（甲基-）2-$i（吡咯烷基）甲基/苯甲酰胺）。属于该组的化合物在治疗中用作：抗精神病药、抗抑郁药和抗恶心药、杀菌剂、避孕混合物、治疗不育症、核医学中的放射性药物组合物、治疗各种起源的偏头痛以及治疗帕金森病。本发明的优点在于通过$i（2-烷氧基-5-磺酰基烷基苯甲酸酯）与相应的（RS R+或S-）杂环胺反应，以完全新的简单方式合成$i（杂环氨基烷基苯甲酰胺）和/或其盐和/或水合物，反应温度较低，在大气压下无需催化剂，在更便宜、更安全的有机溶剂中进行反应，获得不需要任何额外纯化的最终产品，实现良好的产率和高品质的最终产品，更便宜的工业用程序和高药典纯度的产品。
• Substituted benzamides
  申请人：BEECHAM GROUP PLC

  公开号：EP0036269A1

  公开（公告）日：1981-09-23

  Compounds of formula (I) and pharmaceutically acceptable salts thereof: wnerem. R1 is a C1-6 alkoxygroup; R2 and R3 are the same or different and are hydrogen halogen, CF3, C1-7 acyl, C1-7 acylamino, C1-6 alkyl-S(O)n wherein n is 0, 1 or 2 nitro, or amino, aminocarbonyl or aminosulphonyl optionally substituted by one or two C1-6 alkyl groups; or R1 and R2 taken together are methylendioxy or ethylenedioxy in which case R3 is any one of the groups given for R1 and R2 above; R4 is hydrogen or C1-6 alkyl; R5 is hydrogen, C1-6 alkyl, phenyl or phenyl-C1-6 alkyl, either of which phenyl moieties may be substituted by C1-6 alkyl, C1-6 alkoxy, CF3 or halogen, and R6 is hydrogen; or R5 and R6 are attached to two adjacent carbon atoms and form together with these two carbon atoms a fused benzene ring, which benzene ring may be substituted by C1-6 alkyl, C1-6 alkoxy, CF3 or halogen; and j is 1 to 4; and p is 0 to 2 and q is 0 to 3, having useful pharmacological activity, a process for their preparation and their use.

  式 (I) 化合物及其药学上可接受的盐类： wnerem. R1 是 C1-6 烷氧基； R2 和 R3 相同或不同，并且是氢卤素、CF3、C1-7 乙酰基、C1-7 乙酰氨基、C1-6 烷基-S(O)n（其中 n 是 0、1 或 2 个硝基）或任选被一个或两个 C1-6 烷基取代的氨基、氨基羰基或氨基磺酰基； 或 R1 和 R2 合在一起是亚甲二氧基或亚乙二氧基，在这种情况下，R3 是上述 R1 和 R2 所指的任何一个基团； R4 是氢或 C1-6 烷基； R5是氢、C1-6烷基、苯基或苯基-C1-6烷基，其中任一苯基可被C1-6烷基、C1-6烷氧基、CF3或卤素取代，R6是氢；或R5和R6连接到两个相邻的碳原子上，并与这两个碳原子一起形成一个融合苯环，该苯环可被C1-6烷基、C1-6烷氧基、CF3或卤素取代；和 j 为 1 至 4；以及 p 为 0 至 2，q 为 0 至 3、 具有有用的药理活性，其制备方法和用途。
• SALTS OF PAROXETINE
  申请人：SMITHKLINE BEECHAM PLC

  公开号：EP1091958A1

  公开（公告）日：2001-04-18
• JPS53135968A
  申请人：——

  公开号：JPS53135968A

  公开（公告）日：1978-11-28
• JPS565458A
  申请人：——

  公开号：JPS565458A

  公开（公告）日：1981-01-20