对甲苯亚磺酸钠盐 | 1011708-74-9

• 物质功能分类: 化学试剂 - 有机试剂 - 磺酸盐/亚磺酸盐
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 对甲苯亚磺酸钠盐
• 英文名称: Sodium p-toluenesulfinate hydrate
• 英文别名: sodium;4-methylbenzenesulfinate;hydrate
• CAS: 1011708-74-9；207801-20-5
• 化学式: C7H9NaO3S
• 分子量: 196.2
• InChiKey: WUHWAOGAJFMIFU-UHFFFAOYSA-M

物化性质

• 熔点：
  >300 °C(lit.)

计算性质

• 辛醇/水分配系数(LogP)：
  -2.59
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  60.3
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xn
• 危险类别码：
  R22
• WGK Germany：
  2
• 海关编码：
  29309090

制备方法与用途

用途 

灌浆材料固化剂。可用于有机合成、制药。

反应信息

• 作为反应物：
  描述：

  p-nitrobenzyl (2R,3R)-2-(benzothiazol-2'-yldithio)-α-isopropenyl-4-oxo-3-phenoxyacetylaminoazetidine-1-acetate 、 对甲苯亚磺酸钠盐 在 silver nitrate 丙酮 、 乙醚 、 magnesium sulfate 、 silica gel 、 乙酸乙酯 、 正己烷 作用下， 以 丙酮 、 水 为溶剂， 反应 1.0h， 以Flash chromatography (silica gel, 50% ethyl acetate in hexane) gave the pure title product, XIIId的产率得到4-nitrobenzyl 2-[(3R,4R)-4-(p-toluenesulfonylthio)-3-phenoxyacetamido-2-oxo-azetidin-1-yl]-3-methyl-3-butenoate
  参考文献：
  名称：

  Processes for making cephems from allenylazetidinone derivatives

  摘要：

  本发明涉及一种使用有机铜试剂从式I的2-(3-氨基-2-氧代氮杂环丙酸-1-基)-2,3-丁二烯酸中间体制备式II的新型方法。在另一个方面，本发明涉及所述中间体。##STR1## 在方案（A）的化合物中，R.sup.1是传统的氨基保护基或酰基；R.sup.2是芳香杂环或芳基基团；R.sup.3是传统的羧基保护基或--CO.sub.2R.sup.3，两者结合形成生理可水解的酯；而R.sup.4是从C.sub.1-6烷基，C.sub.2-6烯基，C.sub.2-6炔基，环状C.sub.3-6烷基和芳基中选择的一组基团；n为0或2。

  公开号：

  US05266691A1

文献信息

• New COMT inhibitors for the treatment of depression and impaired cognition
  申请人：Diederich Francois

  公开号：US20050137162A1

  公开（公告）日：2005-06-23

  The present invention relates to compounds of formula I wherein R 1 is as defined in the specification and to esters thereof which are hydrolyzable under physiological conditions and to the pharmaceutically acceptable salts thereof. The compounds of the invention are inhibitors of COMT and, thus, are useful for the treatment of diseases for which COMT inhibition is beneficial. The invention further relates to the treatment, control, or prevention of diseases such as depression, schizophrenia, Parkinson's disease, and to improve cognition.

  本发明涉及以下式I的化合物 其中R 1 如规范中定义 以及在生理条件下可水解的酯及其药用可接受的盐。本发明的化合物是COMT的抑制剂，因此对于COMT抑制有益的疾病的治疗是有用的。本发明还涉及治疗、控制或预防抑郁症、精神分裂症、帕金森病以及改善认知的疾病。
• Novel compounds
  申请人：Beecham Group plc

  公开号：US04971975A1

  公开（公告）日：1990-11-20

  A compound of formula (I) or a pharmaceutically acceptable salt thereof: ##STR1## in which X represents R.sub.1 OOC-- in which R.sub.1 is C.sub.1-4 alkyl, C.sub.2-4 alkenyl or C.sub.2-4 alkynyl; R.sub.2 O-- in which R.sub.2 is C.sub.1-2 alkyl, C.sub.1-2 alkylcarbonyl or aminocarbonyl optionally substituted by one or two methyl groups; a group ##STR2## in which Y represents a 3-membered divalent residue completing a 5-membered aromatic ring and comprises one or two heteroatoms selected from oxygen, nitrogen and sulphur, any amino nitrogen optionally substituted by a C.sub.1-2 alkyl group, Y being optionally C-substituted by a methyl group; or a group ##STR3## in which A.sub.1 is oxygen or sulphur, one of A.sub.2 and A.sub.3 is CR.sub.3 and the other is nitrogen or CR.sub.4 where R.sub.3 and R.sub.4 are independently selected from hydrogen and methyl; and each of p and q independently represents an integer of 2 to 4.

  公式（I）的化合物或其药学上可接受的盐：##STR1## 其中X代表R.sub.1 OOC-，其中R.sub.1是C.sub.1-4烷基，C.sub.2-4烯基或C.sub.2-4炔基；R.sub.2 O-，其中R.sub.2是C.sub.1-2烷基，C.sub.1-2烷基羰基或氨基羰基，可选地被一个或两个甲基基团取代；一个基团##STR2## 其中Y代表3-成员双价残基，完成5-成员芳环并包括氧、氮和硫中选择的一个或两个杂原子，任意氨基氮可选择地被C.sub.1-2烷基基团取代，Y可选地被甲基基团取代；或一个基团##STR3## 其中A.sub.1是氧或硫，A.sub.2和A.sub.3中的一个是CR.sub.3，另一个是氮或CR.sub.4，其中R.sub.3和R.sub.4独立选择自氢和甲基；每个p和q独立地表示2到4的整数。
• Heterocyclic azabicyclic compounds for enhancing acetylcholine function
  申请人：Beecham Group p.l.c.

  公开号：US05132316A1

  公开（公告）日：1992-07-21

  A compound of formula (I) or a pharmaceutically acceptable salt thereof: ##STR1## in which X represents R.sub.1 OOC-- in which R.sub.1 is C.sub.1-4 alkyl, C.sub.2-4 alkenyl or C.sub.2-4 alkynyl; R.sub.2 O-- in which R.sub.2 is C.sub.1-2 alkyl, C.sub.1 -2 alkylcarbonyl or aminocarbonyl optionally substituted by one or two methyl groups; a group ##STR2## in which Y represents a 3-membered divalent residue completing a 5-membered aromatic ring and comprises one or two heteroatoms selected from oxygen, nitrogen and sulphur, any amino nitrogen optionally substituted by a C.sub.1-2 alkyl group, Y being optionally C-substituted by a methyl group; or a group ##STR3## in which A.sub.1 is oxygen or sulphur, one of A.sub.2 and A.sub.3 is CR.sub.3 and the other is nitrogen or CR.sub.4 where R.sub.3 and R.sub.4 are independently selected from hydrogen and methyl; and each of p and q independently represents an integer of 2 to 4.

  化合物的化学式（I）或其药学上可接受的盐：##STR1## 其中X代表R.sub.1 OOC--，其中R.sub.1是C.sub.1-4烷基，C.sub.2-4烯基或C.sub.2-4炔基; R.sub.2 O--，其中R.sub.2是C.sub.1-2烷基，C.sub.1-2烷基羰基或氨基羰基，可选择地被一个或两个甲基基团取代的氨基; 一个基团##STR2## 其中Y代表一个3元二价残基，完成一个5元芳香环，并包含来自氧，氮和硫的一个或两个杂原子，任何氨基氮可选择地被C.sub.1-2烷基基团取代，Y可选择地被甲基基团取代; 或一个基团##STR3## 其中A.sub.1是氧或硫，A.sub.2和A.sub.3中的一个是CR.sub.3，另一个是氮或CR.sub.4，其中R.sub.3和R.sub.4独立地选择自氢和甲基; p和q各自独立地表示2到4的整数。
• COMT inhibitors for the treatment of depression and impaired cognition
  申请人：Hoffmann-La Roche Inc.

  公开号：US07319101B2

  公开（公告）日：2008-01-15

  The present invention relates to compounds of formula I wherein R1 is as defined in the specification and to esters thereof which are hydrolyzable under physiological conditions and to the pharmaceutically acceptable salts thereof. The compounds of the invention are inhibitors of COMT and, thus, are useful for the treatment of diseases for which COMT inhibition is beneficial. The invention further relates to the treatment, control, or prevention of diseases such as depression, schizophrenia, Parkinson's disease, and to improve cognition.

  本发明涉及公式I的化合物，其中R1如规范中所定义，并涉及在生理条件下可水解的酯及其药学上可接受的盐。本发明的化合物是COMT的抑制剂，因此对于COMT抑制有益的疾病的治疗非常有用。本发明还涉及治疗、控制或预防抑郁症、精神分裂症、帕金森病以及改善认知能力的疾病。
• Azabicyclic compounds, process for their preparation and pharmaceutical compositions containing them
  申请人：BEECHAM GROUP PLC

  公开号：EP0322182A2

  公开（公告）日：1989-06-28

  Novel compounds of formula (I), processes for their preparation, and their use as pharmaceutical agents are described: in which p represents an integer of 2 to 4; r represents an integer of 1 or 2; s represents 0 or 1; and X represents a group in which A₁ is oxygen or sulphur, one of A₂ and A₃ is CR₁ and the other is nitrogen or CR₂, or A₂ is oxygen or sulphur, A₁ is CH and A₃ is CR₁, where R₁ and R₂ are independently selected from hydrogen and C₁₋₂ alkyl, with the proviso that when r is 2, R₁ and R₂ are hydrogen or methyl.

  本发明描述了式 (I) 的新型化合物、其制备工艺及其作为药物制剂的用途： 其中 p 代表 2 至 4 的整数；r 代表 1 或 2 的整数；s 代表 0 或 1；X 代表一个基团 其中 A₁ 是氧或硫，A₂ 和 A₃ 中的一个是 CR₁，另一个是氮或 CR₂，或 A₂ 是氧或硫，A₁ 是 CH，A₃ 是 CR₁、其中 R₁ 和 R₂ 独立选自氢和 C₁₋₂ 烷基，但当 r 为 2 时，R₁ 和 R₂ 为氢或甲基。