2,5-Difluorobenzamide

Base Information

• Chemical Name: 2,5-Difluorobenzamide
• CAS No.: 85118-03-2
• Molecular Formula: C7H5F2NO
• Molecular Weight: 157.12
• Hs Code.: 2924299090
• European Community (EC) Number: 285-655-2
• DSSTox Substance ID: DTXSID40234241
• Nikkaji Number: J307.996A
• Wikidata: Q72462404
• Mol file: 85118-03-2.mol

Synonyms:2,5-Difluorobenzamide;85118-03-2;Benzamide, 2,5-difluoro-;EINECS 285-655-2;MFCD00015548;3,6-difluorobenzamide;2,5-Difluorobenzamide #;2,5-bis(fluoranyl)benzamide;SCHEMBL366058;DTXSID40234241;2,5-Difluorobenzamide, AldrichCPR;AKOS008982293;AM82952;CS-W017976;PS-8832;FT-0610349;H10849;A841220

Chemical Property of 2,5-Difluorobenzamide

Chemical Property:

• Vapor Pressure: 0.448mmHg at 25°C
• Melting Point: 114 °C
• Refractive Index: 1.515
• Boiling Point: 194.2 °C at 760 mmHg
• PKA: 14.72±0.50(Predicted)
• Flash Point: 71.2 °C
• PSA: 43.09000
• Density: 1.348 g/cm³
• LogP: 1.76400
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 157.03392011
• Heavy Atom Count: 11
• Complexity: 163

Purity/Quality:

99% ^*data from raw suppliers

2,5-Difluorobenzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36-36/37

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,5-Difluorobenzamide

There total 1 articles about 2,5-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:

→ 2,5-difluorobenzamide (85118-03-2)

Guidance literature:

entspr. Benzoesaeurechlorid, wss. NH3;

Reference yield: 97.0%

2,5-difluorobenzamide (85118-03-2) + 6-bromo-2-(2-methoxyethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione (651768-37-5) → 2,5-difluoro-N-(2-(2-methoxyethyl)-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin-6-yl)benzamide

Guidance literature:

With palladium [2'-(amino-κN)[1,1'-biphenyl]-2-yl-κC][[5-(diphenylphosphino)-9,9-dimethyl-9H-xanthen-4-yl]diphenylphosphine-κP](methanesulfonato-κO); caesium carbonate; In 1,4-dioxane; at 100 ℃; Inert atmosphere;

DOI:10.1039/c7cc07922b

Reference yield: 65.0%

2,5-difluorobenzamide (85118-03-2) + tert-butyl 4-(10-bromo-2-oxo-1,2-dihydropyrimido[1,2-b]indazol-4-yl)piperidine-1-carboxylate → tert-butyl 4-{10-[(2,5-difluorobenzoyl)amino]-2-oxo-1,2-dihydropyrimiclo[1,2-b]indazol-4-yl}piperidine-1-carboxylate

Guidance literature:

With potassium phosphate; t-BuBrettPhos; [(2-di-tert-butylphosphino-3,6-dimethoxy-2’,4’,6’-triisopropyl-1,1’-biphenyl)-2-(2’-amino-1,1‘-biphenyl)]palladium(II) methanesulfonate; at 110 ℃; for 16h; Inert atmosphere;

Downstream raw materials:

ethyl 5-benzyl-2-(2,5-difluorophenyl)oxazole-4-carboxylate