3,4-Difluorobenzamide

Base Information

• Chemical Name: 3,4-Difluorobenzamide
• CAS No.: 85118-04-3
• Molecular Formula: C7H5F2NO
• Molecular Weight: 157.12
• Hs Code.: 2924299090
• European Community (EC) Number: 285-656-8
• DSSTox Substance ID: DTXSID00234242
• Nikkaji Number: J208.416C
• Wikidata: Q27453017
• ChEMBL ID: CHEMBL3235578
• Mol file: 85118-04-3.mol

Synonyms:3,4-Difluorobenzamide;85118-04-3;Benzamide, 3,4-fluoro-;EINECS 285-656-8;2HO;MFCD00015549;3,4-diflurobenzamide;3,4-Difluorobenzamide #;SCHEMBL289633;3,4-Difluorobenzamide, 97%;3,4-DIFLUORO BENZAMIDE;CHEMBL3235578;SCHEMBL22380829;CMWOHNIHUBDEAG-UHFFFAOYSA-;DTXSID00234242;HMS1776K09;AMY36988;AKOS001204265;PS-8833;SB76334;CS-0067533;D1802;FT-0614275;EN300-23888;D73480;A841221;W-104092;Q27453017;Z82670082

Chemical Property of 3,4-Difluorobenzamide

Chemical Property:

• Vapor Pressure: 0.196mmHg at 25°C
• Melting Point: 129-133 °C(lit.)
• Refractive Index: 1.515
• Boiling Point: 210 °C at 760 mmHg
• Flash Point: 80.8 °C
• PSA: 43.09000
• Density: 1.348 g/cm³
• LogP: 1.76400
• XLogP3: 1.2
• 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:

98%,99%, ^*data from raw suppliers

3,4-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=CC(=C(C=C1C(=O)N)F)F

Technology Process of 3,4-Difluorobenzamide

There total 16 articles about 3,4-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: 97.0%

3,4-difluoro-(α,α,α-trichloroacetyl)benzene → (3,4-difluoro-phenyl)-amide (85118-04-3)

Guidance literature:

With ammonia; In 1,2-dichloro-ethane; at 20 - 30 ℃; Solvent; Large scale;

Reference yield: 94.0%

3,4-Difluorobenzonitrile (64248-62-0) → (3,4-difluoro-phenyl)-amide (85118-04-3)

Guidance literature:

With copper(l) iodide; nitromethane; caesium carbonate; 1,8-diazabicyclo[5.4.0]undec-7-ene; In water; at 100 ℃; for 1h; Temperature;

DOI:10.1021/acs.orglett.8b00058

Reference yield: 88.0%

3,4-difluorobenzylamine (72235-53-1) → (3,4-difluoro-phenyl)-amide (85118-04-3)

Guidance literature:

With (carbonyl)(chloro)(hydrido)tris(triphenylphosphine)ruthenium(II); potassium tert-butylate; In tert-butyl alcohol; at 70 ℃; for 12h;

DOI:10.1002/chem.201705601

upstream raw materials:

3,4-difluorobenzoyl fluoride

3,4-difluorobenzoyl chloride

benzamide

1,2-difluoro-4-(trifluoromethyl)benzene

Downstream raw materials:

3,4-Difluorobenzonitrile

3,4-difluoroaniline

3,4-Difluorobenzophenone

Refernces

• 1、 Govindan, Karthick,Lin, Wei-Yu. "Ring Opening/Site Selective Cleavage in N-Acyl Glutarimide to Synthesize Primary Amides". supporting information. p. 1600 - 1605. Retrieved 2021/03/03.
• 2、 Kuwabara, Jun,Sawada, Yoshiharu,Yoshimatsu, Mitsuhiro. "Copper-Mediated Reactions of Nitriles with Nitromethanes: Aza-Henry Reactions and Nitrile Hydrations". supporting information. p. 1130 - 1133. Retrieved 2018/02/22.