CAS: 1226781-82-3; Tert-Butyl 2-(Methylsulfonyl)-4,6-Dihydropyrrolo[3,4-C]Pyrazole-5(2H)-Carboxylate

该化合物是一种多用途的热循环化合物,用作制药和农用化学合成的关键中间体,其结构具有一个含有乙型丁基碳基(乙型)保护基的热旋球核心和一个甲基硫酰基替代体,增强了其在选择性转化中的抗反应性. Boc组在基本条件下提供稳定性,同时允许在温和酸条件下进行非保护,促进进一步的功能化.甲基硫酰胺混合物在核生殖反应中充当一个离子体或电子医学中心.该化合物在药用化学中特别宝贵,有助于建造含有氮的复合松片,从而能够开发具有潜在治疗用途的生物活性分子.其定义明确的再活动简介使它成为有针对性合成的可靠建筑块.

英文名称Tert-Butyl 2-(Methylsulfonyl)-4,6-Dihydropyrrolo[3,4-C]Pyrazole-5(2H)-Carboxylate
中文名称2-(甲基磺酰基)-2,6-二氢吡咯并[3,4-c]吡唑-5(4H)-羧酸叔丁酯
IUPAC名称tert-butyl 2-(methylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazole-5(4H)-carboxylate
其它别名Tert-Butyl 2-(Methylsulfonyl)-4,6-Dihydropyrrolo[3,4-C]Pyrazole-5(2H)-Carboxylate; 2-(Methylsulfonyl)-2,6-Dihydropyrrolo[3,4-C]Pyrazole-5(4H)-Carboxylic Acid Tert-Butyl Ester; Tert-Butyl 2-Methanesulfonyl-2H,4H,5H,6H-Pyrrolo[3,4-C]Pyrazole-5-Carboxylate; Omarigliptin Impurity 10; Tert-Butyl 2-(Methylsulfonyl)-2,6-Dihydropyrrolo[3,4-C]Pyrazole-5(4H)-Carboxylate; Pyrrolo[3,4-C]Pyrazole, 2,4,5,6-Tetrahydro-2-(Methylsulfonyl)-, Benzenesulfonate; Omarigliptin Intermediate 3
CAS编号1226781-82-3
MFCD编号:MFCD24467621
分子式:C11H17N3O4S
分子量:287.34
产品CID: 325334
产品分类有机原料→分子砌块→芳杂环类化合物→吡唑类化合物

相似结构搜索
InChIKey: SNEHALFDVXIDSZ-UHFFFAOYSA-N
InChI=1S/C11H17N3O4S/c1-11(2,3)18-10(15)13-5-8-6-14(19(4,16)17)12-9(8)7-13/h6H,5,7H2,1-4H3…
计算化学: 氢键受体数6.0氢键供体数0可旋转键数1

相似化合物

1226781-80-1 1280210-79-8 657428-42-7

MSDS等安全信息

GHS符号GHS07
警示词Warning
危险描述H302-H315-H319-H335
防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

上下游产品

4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole-5-carboxylic acid tert-butyl ester methanesulfonyl chloride 3-oxo-pyrrolidine-1-carboxylic acid tert-butyl ester 2,6-dihydropyrrole [3,4-c]pyrazole-5(4H)-carboxylic acid tert-butyl ester2-(methylsulfonyl)-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-5-ium benzenesulfonate tert-butyl [(2R,3S,5R)-2-(2,5-difiuorophenyl)-5-[2-(methylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl]-1-{2-[1-(methylsulfonyl)-1H-pyrazol-4-yl]ethyl}piperidin-3-yl]carbamate Omarigliptin tert-butyl {(2R,3S,5R)-2-(2,5-difluorophenyl)-5-[2-(methylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl]tetrahydro-2H-pyran-3-yl}carbamate

合成工艺路线路线简述

合成目标产物 Tert-Butyl 2-(Methylsulfonyl)-4,6-Dihydropyrrolo[3,4-C]Pyrazole-5(2H)-Carboxylate 主要起始原料 Pyrrolo[3,4-C]Pyrazole-5(1H)-Carboxylic Acid, 4,6-Dihydro-, 1,1-Dimethylethyl Ester And Methanesulfonyl Chloride
(文献来源)合成步骤主要原料 Pyrrolo[3,4-C]Pyrazole-5(1H)-Carboxylic Acid, 4,6-Dihydro-, 1,1-Dimethylethyl Ester 和 Methanesulfonyl Chloride

海关参考信息

2905122000-异丙醇
2905143000-叔丁醇
2912110000-甲醛
2915110000-甲酸
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专利信息

专利号:US-9527855-B2
优先权日:2011-06-29
标题:Process for preparing chiral dipeptidyl peptidase-IV inhibitors
发明人：ZACUTO MICHAEL J; DUNN ROBERT F; MOMENT AARON J; JANEY JACOB M; LIEBERMAN DAVID; SHEEN FAYE; BREMEYER NADINE; SCOTT JEREMY; KUETHE JEFFREY T; TAN LUSHI; CHEN QINGHAO
权利人:MERCK SHARP & DOHME; MERCK SHARP & DOHME
摘要:A process for the preparation of pyrazolopyrolidines of structural formula I: n nand W isn n nor P, wherein in P is an amine protecting group. These compounds are useful in the synthesis of dipeptidyl peptidase-IV inhibitors for the treatment of Type 2 diabetes. Also provided are useful intermediates obtained from the process.