N-(4-Bromo-2-fluorophenyl)acetamide

Base Information

• Chemical Name: N-(4-Bromo-2-fluorophenyl)acetamide
• CAS No.: 326-66-9
• Molecular Formula: C8H7BrFNO
• Molecular Weight: 232.052
• Hs Code.: 29242998
• European Community (EC) Number: 206-314-6
• UNII: W3HCD2QTE4
• DSSTox Substance ID: DTXSID60186293
• Nikkaji Number: J193.745F
• Wikidata: Q72455635
• Mol file: 326-66-9.mol

Synonyms:N-(4-Bromo-2-fluorophenyl)acetamide;326-66-9;4'-Bromo-2'-fluoroacetanilide;4-Bromo-2-fluoroacetanilide;C8H7BrFNO;Acetamide, N-(4-bromo-2-fluorophenyl)-;W3HCD2QTE4;EINECS 206-314-6;UNII-W3HCD2QTE4;SCHEMBL3472841;DTXSID60186293;N-Acetyl-2-fluoro-4-bromoaniline;MFCD00042588;STL482893;AKOS000190277;2'-FLUORO-4'-BROMOACETANILIDE;4'-Bromo-2'-fluoroacetanilide, 99%;AS-9192;N-(4-Bromo-2-fluoro-phenyl)-acetamide;N-(4-Bromo-2-fluorophenyl)acetamide #;AC-15661;B1440;CS-0204627;FT-0617767;AO-548/40948685;W-106831;Z30824336

Chemical Property of N-(4-Bromo-2-fluorophenyl)acetamide

Chemical Property:

• Appearance/Colour: Light beige amorphous powder
• Vapor Pressure: 0.0686mmHg at 25°C
• Melting Point: 148-151 °C
• Refractive Index: 1.423
• Boiling Point: 332.9 °C at 760 mmHg
• PKA: 13.16±0.70(Predicted)
• Flash Point: 155.1 °C
• PSA: 29.10000
• Density: 1.623 g/cm³
• LogP: 2.61960
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 230.96950
• Heavy Atom Count: 12
• Complexity: 176

Purity/Quality:

98% ^*data from raw suppliers

4''-Bromo-2''-fluoroacetanilide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi; Xn
• Hazard Codes: Xn,Xi
• Statements: 20/21/22
• Safety Statements: 45-28A

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=O)NC1=C(C=C(C=C1)Br)F

Technology Process of N-(4-Bromo-2-fluorophenyl)acetamide

There total 7 articles about N-(4-Bromo-2-fluorophenyl)acetamide 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: 99.0%

4-bromo-2-fluoroaniline (367-24-8) + acetyl chloride (75-36-5) → N-(4-bromo-2-fluorophenyl)acetamide (326-66-9)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃; for 8h;

Reference yield: 95.0%

N-(2-fluorophenyl)acetamide (399-31-5) → N-(4-bromo-2-fluorophenyl)acetamide (326-66-9)

Guidance literature:

With Eosin Y; Selectfluor; In acetonitrile; at 25 ℃; for 12h; regioselective reaction;

DOI:10.1021/acs.orglett.7b01427

Reference yield: 65.0%

4-bromoacetanilide (103-88-8) → N-(4-bromo-2-fluorophenyl)acetamide (326-66-9)

Guidance literature:

With acetyl hypofluorite; In dichloromethane; trichlorofluoromethane; at -75 ℃;

DOI:10.1021/jo00179a012

upstream raw materials:

N-(2-fluorophenyl)acetamide

acetic acid-(N-bromo-2-fluoro-anilide)

chlorobenzene

trichloroacetic acid

Downstream raw materials:

N-(2-fluoro-4-iodo-phenyl)-acetamide

4-acetamido-3-fluorobenzoic acid

N-(2-fluorophenyl)acetamide

N'-(4-bromo-2-fluorophenyl)-N-phenylacetimidamide

Refernces

• 1、 Huang, Binbin,Zhao, Yating,Yang, Chao,Gao, Yuan,Xia, Wujiong. "Combining Eosin y with Selectfluor: A Regioselective Brominating System for Para-Bromination of Aniline Derivatives". supporting information. p. 3799 - 3802. Retrieved 2017/07/26.
• 2、 -. "NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES". Page/Page column 110. . Retrieved 2012/12/13.