Methyl 2-azidosulfonyl-2,2-difluoroacetate

Base Information

• Chemical Name: Methyl 2-azidosulfonyl-2,2-difluoroacetate
• CAS No.: 82386-31-0
• Molecular Formula: C3H3F2N3O4S
• Molecular Weight: 215.137
• DSSTox Substance ID: DTXSID50512901
• Nikkaji Number: J601.292B
• Wikidata: Q82372335
• Mol file: 82386-31-0.mol

Synonyms:82386-31-0;DTXSID50512901;3-(1,1-Difluoro-2-methoxy-2-oxoethanesulfonyl)triaza-1,2-dien-2-ium-1-ide

Chemical Property of Methyl 2-azidosulfonyl-2,2-difluoroacetate

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 214.98123308
• Heavy Atom Count: 13
• Complexity: 351

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(F)(F)S(=O)(=O)N=[N+]=[N-]

Technology Process of Methyl 2-azidosulfonyl-2,2-difluoroacetate

There total 1 articles about Methyl 2-azidosulfonyl-2,2-difluoroacetate 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: 82.0%

2,2-difluoro-2-(fluorosulfonyl)acetate (680-15-9) → 2-Methoxycarbonyldifluoromethanesulfonyl azide (82386-31-0)

Guidance literature:

With sodium azide; In methanol; at 20 ℃; for 8h;

DOI:10.1016/S0040-4039(00)79026-5

Reference yield: 83.0%

2-Methoxycarbonyldifluoromethanesulfonyl azide (82386-31-0) + diisopropylamine (108-18-9) + phenylacetylene (536-74-3) → N'-{[difluoro(methoxycarbonyl)methyl]sulfonyl}-N,N-diisopropyl-2-phenylacetamidine (1304126-47-3)

Guidance literature:

With copper(l) iodide; In tetrahydrofuran; at 20 ℃; Inert atmosphere;

DOI:10.1055/s-0030-1258450

Reference yield: 82.0%

1-phenylpyrrole (635-90-5) + 2-Methoxycarbonyldifluoromethanesulfonyl azide (82386-31-0) → N-phenyl-3-(methoxycarbonyldifluoromethenesulfonamido)pyrrole (1242102-47-1)

Guidance literature:

In acetonitrile; at 80 ℃; for 30h;

DOI:10.1016/j.jfluchem.2010.05.005

upstream raw materials:

2,2-difluoro-2-(fluorosulfonyl)acetate

Downstream raw materials:

N-phenyl-3-(methoxycarbonyldifluoromethenesulfonamido)pyrrole

N'-{[difluoro(methoxycarbonyl)methyl]sulfonyl}-N,N-diisopropyl-2-phenylacetamidine

N'-{[difluoro(methoxycarbonyl)methyl]sulfonyl}-N,N-diisopropyl-2-(4-methoxyphenyl)acetamidine

N'-{[difluoro(methoxycarbonyl)methyl]sulfonyl}-N,N-diisopropyl-2-(4-tolyl)acetamidine