3-methylthiopyridine-2-carboxylic acid | 53636-37-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 3-methylthiopyridine-2-carboxylic acid
• 英文别名: 3-methylsulfanyl-pyridine-2-carboxylic acid；3-(Methylsulfanyl)pyridine-2-carboxylic acid；3-methylsulfanylpyridine-2-carboxylic acid
• CAS: 53636-37-6
• 化学式: C₇H₇NO₂S
• 分子量: 169.204
• InChiKey: NGRLXBWYDYLQLI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  75.5
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• METHOD FOR MANUFACTURING 3-(ALKYL SULFONYL)PYRIDINE-2-CARBOXYLIC ACID
  申请人：Sumitomo Chemical Company, Limited

  公开号：EP3162795A1

  公开（公告）日：2017-05-03

  A compound represented by formula (7) or a salt thereof can be manufactured by the following steps: a step of allowing a compound represented by formula (1-S) : (wherein R1 represents a C1-8 straight-chain alkyl group, and X represents a halogen atom) to react with a compound represented by formula (2) :         R2SM2     (2) (wherein R2 represents a C1-8 straight-chain alkyl group, and M2 represents a hydrogen atom or an alkali metal) to give a compound represented by formula (3-S) : (wherein R1, R2, and X are as defined above); a step of allowing the compound represented by formula (3-S) to react with hydrogen peroxide in the presence of a tungsten catalyst and an acid to give a compound represented by formula (6-S) or a salt thereof: (wherein X and R2 are as defined above); and a step of reducing the compound represented by formula (6-S) or salt thereof in the presence of a base and a heterogeneous transition metal catalyst to give a compound represented by formula (7) or a salt thereof: (wherein R2 is as defined above).

  式（7）代表的化合物或其盐可以通过以下步骤制造： 允许式（1-S）代表的化合物......的步骤： (其中 R1 代表 C1-8 直链烷基，X 代表卤素原子) 与式 (2) 所代表的化合物反应： R2SM2 (2) (其中 R2 代表 C1-8 直链烷基，M2 代表氢原子或碱金属）反应，得到式（3-S）代表的化合物： (其中 R1、R2 和 X 如上定义）； 让式 (3-S) 所代表的化合物在钨催化剂和酸的存在下与过氧化氢反应，得到式 (6-S) 所代表的化合物或其盐： (其中 X 和 R2 如上文所定义）；以及 在碱和异相过渡金属催化剂存在下还原式 (6-S) 所代表的化合物或其盐，得到式 (7) 所代表的化合物或其盐： (其中 R2 如上定义）。
• 5-SUBSTITUTED ISOINDOLINE COMPOUNDS
  申请人：CELGENE CORPORATION

  公开号：EP2291365A1

  公开（公告）日：2011-03-09
• METHOD FOR MANUFACTURING 3-(ALKYLSULFONYL)PYRIDINE-2-CARBOXYLIC ACID
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US20170129859A1

  公开（公告）日：2017-05-11

  A compound represented by formula (7) or a salt thereof can be manufactured by the following steps: a step of allowing a compound represented by formula (1-S): (wherein R 1 represents a C 1-8 straight-chain alkyl group, and X represents a halogen atom) to react with a compound represented by formula (2): R 2 SM 2 (2) (wherein R 2 represents a C 1-8 straight-chain alkyl group, and M 2 represents a hydrogen atom or an alkali metal) to give a compound represented by formula (3-S): (wherein R 1 , R 2 , and X are as defined above); a step of allowing the compound represented by formula (3-S) to react with hydrogen peroxide in the presence of a tungsten catalyst and an acid to give a compound represented by formula (6-S) or a salt thereof: (wherein X and R 2 are as defined above); and a step of reducing the compound represented by formula (6-S) or salt thereof in the presence of a base and a heterogeneous transition metal catalyst to give a compound represented by formula (7) or a salt thereof: (wherein R 2 is as defined above).
• US5658933A
  申请人：——

  公开号：US5658933A

  公开（公告）日：1997-08-19
• US9815786B2
  申请人：——

  公开号：US9815786B2

  公开（公告）日：2017-11-14