1-methylpiperazine dimethanesulfonate | 80709-65-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 1-methylpiperazine dimethanesulfonate
• 英文别名: Methanesulfonate;1-methylpiperazin-1-ium；methanesulfonate;1-methylpiperazin-1-ium
• CAS: 80709-65-5
• 化学式: 2CH₄O₃S*C₅H₁₂N₂
• 分子量: 292.378
• InChiKey: WKWRMPGTZHSLTO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.97
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  82
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  甲烷磺酸 、 2,3-dimethoxy-11-(4-methylpiperazino)-10,11-dihydrodibenzothiepin 以 乙醇 、 丙酮 为溶剂， 生成 1-methylpiperazine dimethanesulfonate
  参考文献：
  名称：

  Potential metabolites of tricyclic neuroleptics: 3,7-Dimethoxy and 7,8-dimethoxy derivatives of 10-(4-methylpiperazino)-10,11-dihydrodibenzo[b,f]thiepin

  摘要：

  2-碘-4-甲氧基苯甲酸与3-甲氧基噻吩酚反应生成酸II，经过醇III和腈IV转化为[4-甲氧基-2-(3-甲氧基苯硫基)苯基]乙酸(V)。2-碘苯乙酸与3,4-二甲氧基噻吩酚反应得到异构体[2-(3,4-二甲氧基苯硫基)苯基]乙酸(XI)。酸V和酸XI通过环化得到酮VIa和VIb，经过与1-甲基哌嗪和四氯化钛反应转化为烯胺IXa和IXb。用二硼烷还原这些烯胺得到标题化合物。尝试用乙酸中的锌还原这些烯胺导致氢解，主要产物为2,3-二甲氧基和3,7-二甲氧基-10,11-二氢二苯并[b,f]噻吩(Xab)。

  DOI：

  10.1135/cccc19811808

文献信息

• US4900729A
  申请人：——

  公开号：US4900729A

  公开（公告）日：1990-02-13
• [EN] NOVEL COMPOUNDS, THEIR SYNTHESIS AND THEIR USES<br/>[FR] NOUVEAUX COMPOSÉS, LEUR SYNTHÈSE ET LEURS UTILISATIONS
  申请人：SPHAERA PHARMA PRIVATE LTD

  公开号：WO2014054058A2

  公开（公告）日：2014-04-10

  The present invention discloses novel chemical compounds obtained by causing a covalent attachment of a modifying agent of the structure provided for formula 1, to a functional group or a heteroatom of a heterocyclic ring system in chemical compound with improved chemical and biological properties; Wherein : Y is DRUG-CO; DRUG -OCO; DRUG-NRCO, and X is selected from. With a provisio that the modification can be done at more than one functional group in the DRUG. Alternatively : Y is DRUG-CR1 R2, and X is COR, CONRR2, COOR. With a provisio that the N of the drug is attached to CR1 R2. With a provisio that the modification can be done at more than one functional group in the DRUG. G can be selected from iodide, chloride, bromide, mesylate, tosylate or tetra flouroborate or any other pharmaceutically acceptable anion. G can be either one or more counter ions to balance the charge. R, R1 and R2 are independently H, C1-C8 straight or branched chain alkyl - optionally containing 1 -3 heteroatoms selected from O, N, S, SO, or SO2; 3-7 membered cycloalkyl optionally containing 1 -3 heteroatoms selected from O, N, S, SO, or SO2 and or lower alkyl, straight or branched alkyl, alkoxy; alkaryl, aryl, heteroaryl, or alkheteroaryl; or is independently is independently part of 3-7 membered ring optionally containing additional 1 -2 heteroatoms selected from, O, N, S, SO, SO2 and also be optionally substituted with alkoxy, F or CI. The present invention also discloses a method for obtaining these compounds.