3,5-Difluorobenzamide

Base Information

• Chemical Name: 3,5-Difluorobenzamide
• CAS No.: 132980-99-5
• Molecular Formula: C7H5F2NO
• Molecular Weight: 157.12
• Hs Code.: 2924 29 70
• European Community (EC) Number: 642-660-8
• DSSTox Substance ID: DTXSID50371696
• Nikkaji Number: J3.042.815C
• Wikidata: Q82159122
• Mol file: 132980-99-5.mol

Synonyms:3,5-Difluorobenzamide;132980-99-5;Benzamide, 3,5-difluoro-;MFCD00061138;SCHEMBL259315;3,5-Difluorobenzamide, 97%;DTXSID50371696;AKOS008937795;PS-8831;CS-0194789;FT-0614590;D85883;A806536;J-006271;Z33545379

Chemical Property of 3,5-Difluorobenzamide

Chemical Property:

• Vapor Pressure: 0.622mmHg at 25°C
• Melting Point: 155-159 °C(lit.)
• Refractive Index: 1,507-1,509
• Boiling Point: 187.7 °C at 760 mmHg
• Flash Point: 67.3 °C
• PSA: 43.09000
• Density: 1.348 g/cm³
• LogP: 1.76400
• Storage Temp.: Store below +30°C.
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 157.03392011
• Heavy Atom Count: 11
• Complexity: 153

Purity/Quality:

97%+ ^*data from raw suppliers

3,5-Difluorobenzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=C(C=C(C=C1F)F)C(=O)N

Technology Process of 3,5-Difluorobenzamide

There total 4 articles about 3,5-Difluorobenzamide 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: 100.0%

3,5-difluorobenzonitrile (64248-63-1) → 3,5-difluorobenzamide (132980-99-5)

Guidance literature:

With [{Au(IPr)}2(μ-OH)][BF4]; water; In tetrahydrofuran; at 140 ℃; for 2h; under 5250.53 Torr; Reagent/catalyst; Sealed tube; Microwave irradiation;

Reference yield:

3,5-difluorobenzaldehyde (32085-88-4) → 3,5-difluorobenzamide (132980-99-5)

Guidance literature:

With hydroxylamine hydrochloride; zinc trifluoromethanesulfonate; In toluene; at 100 ℃; for 24h;

DOI:10.1016/j.tetlet.2011.12.036

Reference yield:

3,5-difluorobenzoyl chloride (129714-97-2) → 3,5-difluorobenzamide (132980-99-5)

Guidance literature:

With ammonium hydroxide; In ethyl acetate; for 0.166667h;

DOI:10.1021/jm00109a015

upstream raw materials:

3,5-difluorobenzonitrile

3,5-difluorobenzoyl chloride

3,5-difluorobenzoic acid

3,5-difluorobenzaldehyde

Downstream raw materials:

2-(3,5-difluorophenyl)benzo[d]oxazole

Refernces

• 1、 Enthaler, Stephan,Weidauer, Maik,Schr?der, Fanny. "Straightforward zinc-catalyzed transformation of aldehydes and hydroxylamine hydrochloride to nitriles". experimental part. p. 882 - 885. Retrieved 2012/03/26.
• 2、 Ramon, Ruben S.,Marion, Nicolas,Nolan, Steven P.. "Gold Activation of Nitriles: Catalytic Hydration to Amides". supporting information; experimental part. p. 8695 - 8697. Retrieved 2010/03/24.