2-(Methylsulfonyl)-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole

Base Information

• Chemical Name: 2-(Methylsulfonyl)-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole
• CAS No.: 1280210-80-1
• Molecular Formula: C12H15N3O5S2
• Molecular Weight: 345.4
• Mol file: 1280210-80-1.mol

Synonyms:2-(Methylsulfonyl)-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole;2-(Methylsulfonyl)-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole benzenesulfonate;MK-3102 interMediate;2-(Methylsulfonyl)-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-5-iuM benzenesulfonate;2,4,5,6-Tetrahydro-2-(methylsulfonyl)pyrrolo[3,4-c]pyrazole benzenesulfonate;Omarigliptin inter. OG-2;2-Methanesulfonyl-2,4,5,6-tetrahydro-pyrrolo[3,4-c]pyrazole Benzenesulfonic acid salt;Pyrrolo[3,4-c]pyrazole, 2,4,5,6-tetrahydro-2-(methylsulfonyl)-, benzenesulfonate (1:1)

Chemical Property of 2-(Methylsulfonyl)-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole

Chemical Property:

• PSA: 135.12000
• LogP: 2.71770

Purity/Quality:

97% ^*data from raw suppliers

2-(Methylsulfonyl)-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazolebenzenesulfonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-(Methylsulfonyl)-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole

There total 11 articles about 2-(Methylsulfonyl)-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 92.3%

tert-butyl 2-(methylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazole-5(4H)-carboxylate (1226781-82-3) + benzenesulfonic acid (98-11-3) → 2-(methylsulfonyl)-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-5-ium benzenesulfonate (1280210-80-1)

Guidance literature:

In Isopropyl acetate; at 22 ℃; Inert atmosphere;

DOI:10.1021/acs.oprd.5b00267

Reference yield:

tert-butyl 2-(methylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazole-5 (4H)-carboxylate + benzenesulfonic acid (98-11-3) → 2-(methylsulfonyl)-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-5-ium benzenesulfonate (1280210-80-1)

Guidance literature:

In Isopropyl acetate; at 20 ℃; for 72h;

Reference yield:

4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole-5-carboxylic acid tert-butyl ester (657428-42-7) + methanesulfonyl chloride (124-63-0) + benzenesulfonic acid (98-11-3) → 2-(methylsulfonyl)-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-5-ium benzenesulfonate (1280210-80-1)

Guidance literature:

4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole-5-carboxylic acid tert-butyl ester; With sodium hydride; In acetonitrile; mineral oil; at 20 ℃; for 2h; Inert atmosphere;

methanesulfonyl chloride; In acetonitrile; mineral oil; at 20 ℃; for 1h; Inert atmosphere;

benzenesulfonic acid; In Isopropyl acetate; at 20 - 30 ℃; for 18h;

DOI:10.1021/jm401992e

upstream raw materials:

tert-butyl 2-(methylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazole-5(4H)-carboxylate

benzenesulfonic acid

2,6-dihydropyrrole [3,4-c]pyrazole-5(4H)-carboxylic acid tert-butyl ester

tert-butyl (3Z)-3-[(dimethylamino)methylene]-4-oxopyrrolidine-1-carboxylate

Downstream raw materials:

Omarigliptin

C₂₇H₂₈F₂N₄O₄S

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

tert-butyl {(2R,3S)-2-(2,5-difiuorophenyl)-5-[2-(methylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl]-6-oxopiperidin-3-yl}carbamate