Benzyl 3-amino-2,6-difluorobenzoate

Base Information

• Chemical Name: Benzyl 3-amino-2,6-difluorobenzoate
• CAS No.: 918523-44-1
• Molecular Formula: C14H11F2NO2
• Molecular Weight: 263.244
• DSSTox Substance ID: DTXSID00694266
• Wikidata: Q82623310

Synonyms:benzyl 3-amino-2,6-difluorobenzoate;918523-44-1;{3-[(benzyloxy)carbonyl]-2,4-difluorophenyl}amine;3-amino-2,6-difluoro-benzoic acid benzyl ester;SCHEMBL411135;DTXSID00694266;DGBMWLIYOSBXKT-UHFFFAOYSA-N;MFCD18157654;AKOS015839315;KE-0045;3-amino-2, 6-difluoro-benzoic acid benzyl ester

Chemical Property of Benzyl 3-amino-2,6-difluorobenzoate

Chemical Property:

• PSA: 52.32000
• LogP: 3.48520
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 263.07578492
• Heavy Atom Count: 19
• Complexity: 308

Purity/Quality:

98%min ^*data from raw suppliers

3-Amino-2,6-difluorobenzoic acid benzyl ester 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC(=O)C2=C(C=CC(=C2F)N)F

Technology Process of Benzyl 3-amino-2,6-difluorobenzoate

There total 2 articles about Benzyl 3-amino-2,6-difluorobenzoate 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: 79.7%

2,4-difluorophenylamine (367-25-9,76563-56-9) + benzyl chloroformate (501-53-1,94274-21-2) → 3-amino-2,6-difluoro-benzoic acid benzyl ester (918523-44-1)

Guidance literature:

2,4-difluorophenylamine; With n-butyllithium; In tetrahydrofuran; hexane; for 0.5h; Cooling with acetone-dry ice;

With 1,2-bis-(chlorodimethylsilyl)ethane; In tetrahydrofuran; hexane; for 1h; Cooling with acetone-dry ice;

benzyl chloroformate; With hydrogenchloride; n-butyllithium; potassium carbonate; more than 3 stages;

Reference yield: 79.7%

1,2-bis-(chlorodimethylsilyl)ethane (13528-93-3) + 2,4-difluorophenylamine (367-25-9,76563-56-9) + benzyl chloroformate (501-53-1,94274-21-2) → 3-amino-2,6-difluoro-benzoic acid benzyl ester (918523-44-1)

Guidance literature:

2,4-difluorophenylamine; With n-butyllithium; In tetrahydrofuran; hexane; Cooling with acetone-dry ice; Inert atmosphere;

1,2-bis-(chlorodimethylsilyl)ethane; In tetrahydrofuran; hexane;

benzyl chloroformate;

Reference yield: 83.1%

3-amino-2,6-difluoro-benzoic acid benzyl ester (918523-44-1) + n-propanesulfonyl chloride (10147-36-1) → 2,6-difluoro-3-(propane-1-sulfonylamino)-benzoic acid benzyl ester (918523-45-2)

Guidance literature:

With pyridine; In dichloromethane; at 20 ℃;

upstream raw materials:

1,2-bis-(chlorodimethylsilyl)ethane

2,4-difluorophenylamine

benzyl chloroformate

Downstream raw materials:

2,6-difluoro-3-(propane-1-sulfonylamino)-benzoic acid benzyl ester

N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluoro-phenyl]propane-1-sulfonamide

2,6-difluoro-3-(propylsulfonamido)benzoyl chloride

2,6-difluoro-3-(propane-1-sulfonylamino)benzoic acid

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