3-甲基-4,5-二氢噻唑-2-亚胺氢碘酸 | 33918-09-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 中文名称: 3-甲基-4,5-二氢噻唑-2-亚胺氢碘酸
• 英文名称: 3-methyl-thiazolidin-2-ylideneamine; hydriodide
• 英文别名: 3-methyl-thiazolidin-2-one-imine; hydriodide；3-Methyl-thiazolidin-2-on-imin; Hydrojodid；2-imino-3-methylthiazolidine hydroiodide；2-Amino-3-methyl-4,5-dihydro-1,3-thiazol-3-ium iodide；3-methyl-4,5-dihydro-1,3-thiazol-3-ium-2-amine;iodide
• CAS: 33918-09-1
• 化学式: C₄H₈N₂S*HI
• 分子量: 244.099
• InChiKey: YBQSXVIUCDNVNV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.22
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  52.4
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  3-甲基-4,5-二氢噻唑-2-亚胺氢碘酸 在 三乙胺 、 三氯化磷 、 sulfur 作用下， 以 二氯甲烷 为溶剂， 反应 5.0h， 以65%的产率得到N-dichlorophosphinothioyl-3-methyl-1,3-thiazolidin-2-imine
  参考文献：
  名称：

  嘧啶-/噻唑-/噻唑啉-亚基氨基硫代磷酸二氯化物

  摘要：

  通过硫化相应的氨基二氯膦得到九种新的包含嘧啶、噻唑和噻唑啉环的酰氨基二氯硫代磷 (V) 衍生物，这些氨基二氯膦是在三乙胺存在下由相应的 N-烷基-2-氨基环亚胺鎓卤化物与 PCl3 反应生成的。这些嘧啶-/噻唑-/噻唑啉-亚基氨基硫代磷酸二氯化物被分离为稳定的结晶固体，并通过元素分析、核磁共振和质谱进行了很好的表征。© 2003 Wiley Periodicals, Inc. 杂原子化学 14:498–502, 2003; 在线发表于 Wiley InterScience (www.interscience.wiley.com)。DOI 10.1002/hc.10170

  DOI：

  10.1002/hc.10170
• 作为产物：
  描述：

  碘甲烷 、 alkaline earth salt of/the/ methylsulfuric acid 在 甲醇 作用下， 生成 3-甲基-4,5-二氢噻唑-2-亚胺氢碘酸
  参考文献：
  名称：

  Gabriel, Chemische Berichte, 1889, vol. 22, p. 1138

  摘要：

  DOI：

文献信息

• Heterocyclic compounds and pharmaceutical use
  申请人：Beecham Group Limited

  公开号：US04250173A1

  公开（公告）日：1981-02-10

  A compound, with hypolgycaemic activity, having formula (II) or a pharmaceutically acceptable quaternary ammonium or acid addition salt thereof: ##STR1## wherein X represents oxygen or sulphur; n.sub.7 represents zero or 1; R.sup.7 represents hydrogen or C.sub.1-6 alkyl; R.sup.1 and R.sup.2 are the same or different and represent hydrogen, C.sub.1-6 alkyl, phenyl, benzyl, or C.sub.3-6 cycloalkyl; R.sup.3 represents hydrogen, C.sub.1-6 alkyl, phenyl or benzyl; R.sup.4 represents hydrogen or C.sub.1-6 alkyl; R.sup.5 represents C.sub.1-6 alkyl, phenyl optionally substituted with up to 3 groups selected from halogen, C.sub.1-6 alkyl, and C.sub.1-6 alkoxy; or benzyl optionally substituted with up to 3 groups selected from halogen, C.sub.1-6 alkyl and C.sub.1-6 alkoxy; or R.sup.4 and R.sup.5 together represent the remaining members of a 5- or 6-membered ring optionally containing an oxygen, sulphur or additional nitrogen atom and being optionally substituted with C.sub.1-6 alkyl, carboxy or C.sub.1-6 alkoxycarbonyl; and R.sup.6 represents phenyl, optionally substituted with up to 3 groups selected from halogen, C.sub.1-6 alkyl, C.sub.1-6 alkoxy, C.sub.1-6 alkanoyl, C.sub.1-6 alkanoyloxy, nitro, hydroxy, amino, substituted amino, carboxy, and C.sub.1-6 alkoxycarbonyl.

  一种具有降血糖活性的化合物，其化学式为(II)或其药用可接受的季铵盐或酸盐：其中X代表氧或硫；n7代表零或1；R7代表氢或C1-6烷基；R1和R2相同或不同，代表氢、C1-6烷基、苯基、苄基或C3-6环烷基；R3代表氢、C1-6烷基、苯基或苄基；R4代表氢或C1-6烷基；R5代表C1-6烷基、苯基，可选地取代为最多3个卤素、C1-6烷基和C1-6烷氧基中的一种；或苄基，可选地取代为最多3个卤素、C1-6烷基和C1-6烷氧基中的一种；或R4和R5一起代表含有氧、硫或额外氮原子的5-或6-成员环的其余成员，可选地取代为C1-6烷基、羧基或C1-6烷氧羰基；R6代表苯基，可选地取代为最多3个卤素、C1-6烷基、C1-6烷氧基、C1-6烷酰基、C1-6烷酰氧基、硝基、羟基、氨基、取代氨基、羧基和C1-6烷氧羰基中的一种。
• Derivatives of 2-iminothiazolidines and thiazolines
  申请人：Merck & Co., Inc.

  公开号：US04181661A1

  公开（公告）日：1980-01-01

  2-(Substituted imino)thiazolidines and thiazolines are inhibitors of indoleamine-N-methyl transferase in vivo. They are prepared by alkylation or acylation of the free imino group.

  2-（取代亚胺基）噻唑啉和噻唑烷在体内是色胺-N-甲基转移酶的抑制剂。它们通过自由亚胺基的烷基化或酰化来制备。
• Intermediates for heterocyclic imines having hypolipidaemic activity
  申请人：Beecham Group Limited

  公开号：US04282356A1

  公开（公告）日：1981-08-04

  A compound, with hypoglycaemic activity, having formula (II) or a pharmaceutically acceptable quaternary ammonium or acid addition salt thereof: ##STR1## wherein X represents oxygen or sulphur; n represents zero or 1; R.sup.7 represents hydrogen or C.sub.1-6 alkyl; R.sup.1 and R.sup.2 are the same or different and represent hydrogen, C.sub.1-6 alkyl, phenyl, benzyl, or C.sub.3-6 cycloalkyl; R.sup.3 represents hydrogen, C.sub.1-6 alkyl, phenyl or benzyl; R.sup.4 represents hydrogen or C.sub.1-6 alkyl; R.sup.5 represents C.sub.1-6 alkyl, phenyl optionally substituted with up to 3 groups selected from halogen, C.sub.1-6 alkyl, and C.sub.1-6 alkoxy; or benzyl optionally substituted with up to 3 groups selected from halogen, C.sub.1-6 alkyl and C.sub.1-6 alkoxy; or R.sup.4 and R.sup.5 together represent the remaining members of a 5- or 6-membered ring optionally containing an oxygen, sulphur or additional nitrogen atom and being optionally substituted with C.sub.1-6 alkyl, carboxy or C.sub.1-6 alkoxycarbonyl; and R.sup.6 represents phenyl, optionally substituted with up to 3 groups selected from halogen, C.sub.1-6 alkyl, C.sub.1-6 alkoxy, C.sub.1-6 alkanoyl, C.sub.1-6 alkanoyloxy, nitro, hydroxy, amino, substituted amino, carboxy, and C.sub.1-6 alkoxycarbonyl.

  一种具有降血糖活性的化合物，其化学式为（II）或其药学上可接受的季铵或酸加合物盐：##STR1## 其中X代表氧或硫；n代表零或1；R.sup.7代表氢或C.sub.1-6烷基；R.sup.1和R.sup.2相同或不同，代表氢，C.sub.1-6烷基，苯基，苄基或C.sub.3-6环烷基；R.sup.3代表氢，C.sub.1-6烷基，苯基或苄基；R.sup.4代表氢或C.sub.1-6烷基；R.sup.5代表C.sub.1-6烷基，苯基（可选取最多3个卤素，C.sub.1-6烷基和C.sub.1-6烷氧基中的一种或多种进行取代）；或苄基（可选取最多3个卤素，C.sub.1-6烷基和C.sub.1-6烷氧基中的一种或多种进行取代）；或R.sup.4和R.sup.5一起代表一个5-或6-成员环的其余成员，该环可选取一个氧，硫或额外的氮原子，并可用C.sub.1-6烷基，羧基或C.sub.1-6烷氧羰基进行取代；R.sup.6代表苯基，可选取最多3个卤素，C.sub.1-6烷基，C.sub.1-6烷氧基，C.sub.1-6酰基，C.sub.1-6酰氧基，硝基，羟基，氨基，取代氨基，羧基和C.sub.1-6烷氧羰基中的一种或多种进行取代。
• Inhibitors of indoleethylamine N-methyltransferase. Derivatives of 3-methyl-2-thiazolidinimine. In vitro, in vivo, and metabolic studies
  作者：Joshua Rokach、Yves Girard、Pierre Hamel、Grant Reader、C. Stanley Rooney、Lewis R. Mandel、Edward J. Cragoe、Anthony G. Zacchei

  DOI：10.1021/jm00181a014

  日期：1980.7

  A variety of substituent groups has been attached to the exocyclic imine function of 2-imino-3-methylthiazolidine (1) in a search for metabolic precursors of this potent inhibitor of the enzyme indoleethylamine N-methyltransferase (INMT) which would exhibit superior pharmacodynamic properties in animals. It has been determined that chemically stable derivatives of 1 based on succinic, nicotinic, and N-acylated amino acids, although they lack in vitro efficacy, are potent inhibitors of INMT when administered orally or intravenously to rabbits. Metabolic studies carried out with 14C-labeled N,N'-bix(3-methyl-2-thiazolidinylidene)succinamide (3) have established that conversion of this compound to 1 occurs both in the whole rabbit and in the isolated rabbit liver. 1 itself has been shown to be metabolically inert in rabbits, being excreted primarily in the urine.
• One-Pot Synthesis and Fungicidal Activity of Pyrimidinylidenamido- and Thiazolinylidenamidomonothiophosphoric Esters
  作者：Neelima Gupta、Vijaya Kabra、Varsha Saxena、Sama Jain、Kalpana Bhatnager

  DOI：10.1080/10426500307803

  日期：2003.4

  A novel one-pot synthesis of four new classes of amidothiophosphoric esters and trisamidothiophosphoric esters is developed. (1-Alkyl-2-pyrimidinylidenamido)bis(diethylamido)thiophosphates; (1-alkyl-2-pyrimidinylidenamido)bis (O-2/4-methylphenyl)thiophosphates, (3-alkyl-2-thiazolinylidenamido)bis (diethylamido)thiophosphate and (3-alkyl-2-thiazolinylidenamido)bis(O-2/4-methylphenyl)thiophosphates are obtained from the nucleophilic substitution and oxidation of N-alkyl-2-cycloiminylidenaminodichlorophosphines generated in situ from the reaction of the corresponding N-alkyl-2-amino-cycloiminium halide with phosphorus trichloride and triethylamine. The synthesized thiophosphoric esters have been investigated for fungicidal properties.