2,2-Difluoro-n-methoxy-n-methylacetamide

Base Information

• Chemical Name: 2,2-Difluoro-n-methoxy-n-methylacetamide
• CAS No.: 142492-01-1
• Molecular Formula: C4H7F2NO2
• Molecular Weight: 139.102
• Hs Code.: 2924199090
• European Community (EC) Number: 641-163-3
• DSSTox Substance ID: DTXSID60597486
• Wikidata: Q82493037
• Mol file: 142492-01-1.mol

Synonyms:2,2-difluoro-n-methoxy-n-methylacetamide;142492-01-1;n-methyl-n-methoxydifluoroacetamide;MFCD06248152;N-Methoxy-N-methyldifluoroacetamide;2,2-difluoro-N-methoxy-N-methyl-acetamide;Acetamide, 2,2-difluoro-N-methoxy-N-methyl-;Acetamide,2,2-difluoro-N-methoxy-N-methyl-;SCHEMBL2305861;DTXSID60597486;N-methoxy-N-methyl difluoroacetamide;BBL102454;STL556256;AKOS005254890;MS-20444;SY062936;CS-0128676;E74213;EN300-202094;A807919;J-506795

Chemical Property of 2,2-Difluoro-n-methoxy-n-methylacetamide

Chemical Property:

• Vapor Pressure: 56.2mmHg at 25°C
• Refractive Index: 1.369
• Boiling Point: 90.4 °C at 760 mmHg
• Flash Point: 8.5 °C
• PSA: 29.54000
• Density: 1.193 g/cm³
• LogP: 0.27130
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 139.04448479
• Heavy Atom Count: 9
• Complexity: 107

Purity/Quality:

99% ^*data from raw suppliers

2,2-Difluoro-N-methoxy-N-methylacetamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C(=O)C(F)F)OC

Technology Process of 2,2-Difluoro-n-methoxy-n-methylacetamide

There total 1 articles about 2,2-Difluoro-n-methoxy-n-methylacetamide 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: 45.0%

2,2-difluoroacetic anhydride (401-67-2) + N,O-dimethylhydroxylamine*hydrochloride (6638-79-5) → 2,2-difluoro-N-methoxy-N-methylacetamide (142492-01-1)

Guidance literature:

2,2-difluoroacetic anhydride; N,O-dimethylhydroxylamine*hydrochloride; With 1,1'-carbonyldiimidazole; In dichloromethane; at 0 ℃; for 0.0833333h; Inert atmosphere;

With pyridine; triethylamine; In dichloromethane; at 0 ℃; for 4h; Inert atmosphere;

DOI:10.1002/anie.201709487

Reference yield: 95.0%

2,2-difluoro-N-methoxy-N-methylacetamide (142492-01-1) + 4-bromo-2-chlorotoluene (89794-02-5) → 1-(3-chloro-4-methylphenyl)-2,2-difluoroethan-1-one

Guidance literature:

4-bromo-2-chlorotoluene; With magnesium; ethylene dibromide; In tetrahydrofuran; at 20 ℃; for 2h;

2,2-difluoro-N-methoxy-N-methylacetamide; In tetrahydrofuran; at 0 - 20 ℃;

Reference yield: 91.0%

3-Bromopyridine (626-55-1,163928-56-1) + 2,2-difluoro-N-methoxy-N-methylacetamide (142492-01-1) → 2,2-difluoro-1-(pyridin-3-yl)ethanone (155557-13-4)

Guidance literature:

3-Bromopyridine; With n-butyllithium; In hexane; toluene; at -78 ℃; for 0.5h;

2,2-difluoro-N-methoxy-N-methylacetamide; at -78 - 20 ℃; for 3h;

upstream raw materials:

2,2-difluoroacetic anhydride

N,O-dimethylhydroxylamine*hydrochloride

Downstream raw materials:

1-[4-(tert-butyldiphenylsilyloxymethyl)-1-ethoxymethyl-1H-imidazol-2-yl]-2,2-difluoroethanone

2,2-difluoro-1-(pyridin-3-yl)ethanone

2,2-difluoro-1-(4-methylphenyl)ethan-1-one

Refernces