2-(4-Bromophenyl)acetamide

Base Information

• Chemical Name: 2-(4-Bromophenyl)acetamide
• CAS No.: 74860-13-2
• Molecular Formula: C8H8 Br N O
• Molecular Weight: 214.062
• Hs Code.: 2924299090
• European Community (EC) Number: 800-378-4
• NSC Number: 84540
• DSSTox Substance ID: DTXSID10292676
• Nikkaji Number: J1.643.589I
• Wikidata: Q72451487
• ChEMBL ID: CHEMBL351777
• Mol file: 74860-13-2.mol

Synonyms:2-(4-bromophenyl)acetamide;74860-13-2;CHEMBL351777;MFCD00126843;(4-BROMOPHENYL)ACETAMIDE;2-(4-Bromo-phenyl)-acetamide;NSC84540;4-bromophenylacetamide;NCIOpen2_004704;2-(4-bromophenyl) acetamide;SCHEMBL512650;AMY4664;DTXSID10292676;ZBARBHKSSXDLMK-UHFFFAOYSA-N;ZCA86013;BDBM50226202;NSC-84540;STK088984;AKOS000646688;2-(4-Bromophenyl)acetamide, AldrichCPR;SY132432;TS-03055;CS-0186415;FT-0698928;D97484;EN300-102539;A865790;Z33546958

Chemical Property of 2-(4-Bromophenyl)acetamide

Chemical Property:

• Vapor Pressure: 7E-06mmHg at 25°C
• Melting Point: 197-198℃
• Boiling Point: 376.9°C at 760 mmHg
• PKA: 16.12±0.40(Predicted)
• Flash Point: 181.8°C
• PSA: 43.09000
• Density: 1.537g/cm³
• LogP: 2.17720
• Storage Temp.: 2-8°C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 212.97893
• Heavy Atom Count: 11
• Complexity: 141

Purity/Quality:

97% ^*data from raw suppliers

2-(4-Bromophenyl)acetamide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CC(=O)N)Br

Technology Process of 2-(4-Bromophenyl)acetamide

There total 13 articles about 2-(4-Bromophenyl)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: 94.0%

[2-(4-Bromo-phenyl)-acetyl]-carbamic acid tert-butyl ester (120158-10-3) → 4-bromobenzeneacetamide (74860-13-2)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; for 1h; Ambient temperature;

Reference yield: 91.0%

4-Bromophenylacetonitrile (16532-79-9) → 4-bromobenzeneacetamide (74860-13-2)

Guidance literature:

With Os(hydride)6(triisopropylphosphine)2; water; In tetrahydrofuran-d8; at 100 ℃; for 24h; Inert atmosphere;

DOI:10.1021/acs.inorgchem.1c00380

Reference yield: 74.0%

p-bromophenylacetaldehyde (27200-79-9) → 4-bromobenzeneacetamide (74860-13-2)

Guidance literature:

With tert.-butylhydroperoxide; titanium superoxide; saccharin; In 1,4-dioxane; hexane; at 90 ℃; for 1h; Green chemistry;

DOI:10.1039/c9ra10413e

upstream raw materials:

2-(4-bromophenyl)acetyl chloride

4-Bromophenylacetonitrile

1-(4-bromo-phenyl)-2-diazo-ethanone

Benzeneacetamide

Downstream raw materials:

(4-bromo-phenyl)-acetic acid-(2,2,2-trichloro-1-hydroxy-ethylamide)

2-(4-bromobenzyl)-oxazole

3-[4-(aminocarbonyl)phenyl]-5-iso-butyl-N-tert-butylthiophene-2-sulfonamide

N-(1-(1H-benzo[d][1,2,3]triazol-1-yl)-2,2-dimethylpropyl)-2-(4-bromophenyl)acetamide