4-Acetamido-3-bromoacetophenone

Base Information

• Chemical Name: 4-Acetamido-3-bromoacetophenone
• CAS No.: 101209-08-9
• Molecular Formula: C10H10BrNO2
• Molecular Weight: 256.099
• Hs Code.: 2924299090
• European Community (EC) Number: 626-412-6
• DSSTox Substance ID: DTXSID70394983
• Nikkaji Number: J2.504.228J
• Wikidata: Q72434008
• Mol file: 101209-08-9.mol

Synonyms:N-(4-acetyl-2-bromophenyl)acetamide;acetamide, N-(4-acetyl-2-bromophenyl)-;

Chemical Property of 4-Acetamido-3-bromoacetophenone

Chemical Property:

• Vapor Pressure: 8.32E-08mmHg at 25°C
• Melting Point: 139-143 °C
• Refractive Index: 1.6
• Boiling Point: 436.1 °C at 760 mmHg
• PKA: 13.66±0.70(Predicted)
• Flash Point: 217.5 °C
• PSA: 46.17000
• Density: 1.504g/cm³
• LogP: 2.68310
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 254.98949
• Heavy Atom Count: 14
• Complexity: 242

Purity/Quality:

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

4-Acetamido-3-bromoacetophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25
• Safety Statements: 22-24/25-45

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Acetamido-3-bromoacetophenone

There total 3 articles about 4-Acetamido-3-bromoacetophenone 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: 73.0%

4-Methylacetanilide (103-89-9) → 4-acetamido-3-bromoacetophenone (101209-08-9)

Guidance literature:

With N-Bromosuccinimide; palladium diacetate; toluene-4-sulfonic acid; In neat (no solvent, solid phase); at 20 ℃; for 3h; regioselective reaction; Milling; Sealed tube;

DOI:10.3762/bjoc.14.31

Reference yield:

4-(N-acetylamino)acetophenone (2719-21-3,150667-24-6) → 4-acetamido-3-bromoacetophenone (101209-08-9)

Guidance literature:

With bromine; acetic acid;

Reference yield:

bromine (7726-95-6) + acetic acid (64-19-7,77671-22-8) + 4-(N-acetylamino)acetophenone (2719-21-3,150667-24-6) → 4-acetamido-3-bromoacetophenone (101209-08-9)

Guidance literature:

upstream raw materials:

4-(N-acetylamino)acetophenone

bromine

acetic acid

4-Methylacetanilide

Downstream raw materials:

4-acetyl-2-bromobenzoic acid

4-acetyl-2-bromobenzonitrile

N-(1-{3-bromo-4-[(piperidine-4-carbonyl)-amino]-phenyl}-ethyl)-N'-(4-carbamimidoyl-phenyl)-malonamide trifluoroacetate

N-{1-[3-bromo-4-(morpholine-4-carbonyl)-phenyl]-ethyl}-N'-(4-carbamimidoyl-phenyl)-malonamide trifluoroacetate

Refernces