4-Chlor-2-methyl-6-methylmercapto-benzoesaeure | 90649-84-6

• 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: 4-Chlor-2-methyl-6-methylmercapto-benzoesaeure
• 英文别名: 4-chloro-2-methyl-6-(methylthio)benzoic acid；4-chloro-2-methyl-6-methylsulfanylbenzoic acid
• CAS: 90649-84-6
• 化学式: C₉H₉ClO₂S
• 分子量: 216.688
• InChiKey: LAIHJQIOYMMURG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  13
• 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：
  62.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-Chlor-2-methyl-6-methylmercapto-benzoesaeure 、 (S)-1-phenyl-2-(pyrrolidin-1-yl)ethanamine 在 N-羟基-7-氮杂苯并三氮唑 作用下， 以 四氢呋喃 、 N-甲基吡咯烷酮 、 二氯甲烷 为溶剂， 反应 60.0h， 生成 4-chloro-2-methyl-6-(methylthio)-N-[(1S)-1-phenyl-2-(1-pyrrolidinyl)ethyl]benzamide
  参考文献：
  名称：

  WO2007/113309

  摘要：

  公开号：
• 作为产物：
  描述：

  4-Chloro-2-methyl-6-methylsulfanyl-phenylamine; hydrochloride 在 氢氧化钾 、 硫酸 、 sodium nitrite 作用下， 以 甲醇 为溶剂， 生成 4-Chlor-2-methyl-6-methylmercapto-benzoesaeure
  参考文献：
  名称：

  76. 6-氨基青霉烯酸的衍生物。第五部分。2,6-二甲氧基苯基青霉素的类似物，对酸具有增强的稳定性

  摘要：

  DOI：

  10.1039/jr9630000497

文献信息

• Compounds Which Inhibit the Glycine Transporter and Uses Thereof
  申请人：Coulton Steven

  公开号：US20100016374A1

  公开（公告）日：2010-01-21

  Compounds of formula (I) and salts and solvates are provided: wherein R 2 is selected from phenyl substituted with n R 1 groups, and pyridyl substituted with n R 1 groups; n=0, 1 or 2; each R 1 is independently selected from the group consisting of halo, C 1-4 alkyl, C 1-4 alkoxy, haloC 1-4 alkyl, haloC 1-4 alkoxy and cyano; R 3 is selected from hydrogen and C 1-2 alkyl; R 4 is selected from the group consisting of ethyl, n-propyl, i-propyl, n-butyl, i-butyl and t-butyl; or R 3 and R 4 together with the nitrogen atom to which they are attached form a saturated 5- or 6-membered heterocyclic ring optionally substituted with one or more groups X; each X is independently selected from the group consisting of C 1-4 alkyl, and haloC 1-4 alkyl; R 12 is selected from the group consisting of hydrogen, fluoro, chloro, bromo, methyl and methylthio; R 13 is selected from hydrogen, chloro and trifluoromethyl; R 14 is selected from hydrogen, trifluoromethyl and chloro; R 15 is selected from hydrogen, chloro and trifluoromethyl; R 16 is selected from hydrogen, methyl, fluoro and chloro; R 12 , R 13 , R 14 , R 15 and R 16 not all simultaneously being hydrogen.

  提供公式(I)的化合物及其盐和溶剂化合物：其中R2选自取代有n个R1基团的苯基，和取代有n个R1基团的吡啶基；n=0、1或2；每个R1独立地选自卤素、C1-4烷基、C1-4烷氧基、卤代C1-4烷基、卤代C1-4烷氧基和氰基的群；R3选自氢和C1-2烷基；R4选自乙基、正丙基、异丙基、正丁基、异丁基和叔丁基的群；或R3和R4与它们所连接的氮原子一起形成饱和的5-或6-元杂环环，可选地取代一个或多个基团X；每个X独立地选自C1-4烷基和卤代C1-4烷基的群；R12选自氢、氟、氯、溴、甲基和甲硫基的群；R13选自氢、氯和三氟甲基的群；R14选自氢、三氟甲基和氯的群；R15选自氢、氯和三氟甲基的群；R16选自氢、甲基、氟和氯的群；R12、R13、R14、R15和R16不同时全部为氢。
• GLYCINE TRANSPORT INHIBITORS
  申请人：Bradley Daniel Marcus

  公开号：US20090270510A1

  公开（公告）日：2009-10-29

  The present invention relates to compounds of formula (I), or salts or solvates thereof, their use in the manufacture of medicaments for treating neurological and neuropsychiatric disorders, in particular psychoses, dementia or attention deficit disorder. The invention further comprises processes to make these compounds and pharmaceutical formulations thereof.

  本发明涉及公式（I）的化合物，或其盐或溶剂化物，其用于制造治疗神经和神经精神障碍，特别是精神病、痴呆或注意力缺陷障碍的药物。本发明还包括制造这些化合物和制药配方的过程。
• Glycine Transport Inhibitors
  申请人：Bradley Daniel Marcus

  公开号：US20080287547A1

  公开（公告）日：2008-11-20

  The present invention relates to compounds of formula (I), or to salts or solvates thereof, their use in the manufacture of medicaments for treating neurological and neuropsychiatric disorders, in particular psychoses, dementia or attention deficit disorder. The invention further comprises processes to make these compounds and pharmaceutical formulations thereof.

  本发明涉及公式（I）的化合物，或其盐或溶剂化物，其用于制造治疗神经和神经精神障碍的药物，特别是精神病、痴呆或注意力缺陷障碍。该发明还包括制备这些化合物和制药配方的过程。
• Glycine transport inhibitors
  申请人：Glaxo Group Limited

  公开号：US07745642B2

  公开（公告）日：2010-06-29

  The present invention relates to compounds of formula (I), or to salts or solvates thereof, their use in the manufacture of medicaments for treating neurological and neuropsychiatric disorders, in particular psychoses, dementia or attention deficit disorder. The invention further comprises processes to make these compounds and pharmaceutical formulations thereof.

  本发明涉及公式（I）的化合物，或其盐或溶剂化物，它们在制造用于治疗神经系统和神经精神障碍的药物中的使用，特别是用于治疗精神病、痴呆或注意力缺陷障碍。该发明还包括制备这些化合物和它们的药物制剂的过程。
• COMPOUNDS WHICH INHIBIT THE GLYCINE TRANSPORTER AND USES THEREOF
  申请人：GLAXO GROUP LIMITED

  公开号：EP2001831A2

  公开（公告）日：2008-12-17