1-(2-Chlorophenyl)butan-1-one

Base Information

• Chemical Name: 1-(2-Chlorophenyl)butan-1-one
• CAS No.: 21550-07-2
• Molecular Formula: C10H11ClO
• Molecular Weight: 182.65
• DSSTox Substance ID: DTXSID50490250
• Wikidata: Q82333937
• Mol file: 21550-07-2.mol

Synonyms:1-(2-Chlorophenyl)butan-1-one;21550-07-2;SCHEMBL633349;DTXSID50490250;1-(2-Chloro-phenyl)-butan-1-one;WAA55007;AKOS010258805;AB90306;N12776;EN300-1196160;Z733415242

Chemical Property of 1-(2-Chlorophenyl)butan-1-one

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 182.0498427
• Heavy Atom Count: 12
• Complexity: 156

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)C1=CC=CC=C1Cl

Technology Process of 1-(2-Chlorophenyl)butan-1-one

There total 1 articles about 1-(2-Chlorophenyl)butan-1-one 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-Chlorphenyl)-propylketon (21550-07-2)

Guidance literature:

(n-Propyl)3B, 2-Chlor-benzoylchlorid, (CuX);

DOI:10.1016/S0040-4039(01)92580-8

Reference yield:

(2-Chlorphenyl)-propylketon (21550-07-2) → C10H12ClNO

Guidance literature:

With hydroxylamine hydrochloride; sodium acetate; In methanol; at 20 ℃; Inert atmosphere;

DOI:10.1002/anie.202110901

Reference yield:

(2-Chlorphenyl)-propylketon (21550-07-2) → 1-(2-chlorophenyl)-N-(phenylethynyl)butan-1-imine

Guidance literature:

Multi-step reaction with 3 steps

1: hydroxylamine hydrochloride; sodium acetate / methanol / 20 °C / Inert atmosphere

2: triethylamine / dichloromethane / 5 h / 0 - 20 °C / Inert atmosphere

3: copper diacetate; 2,2'-biquinoline; potassium carbonate / 1,2-dichloro-ethane / 36 h / 110 °C / Sealed tube; Inert atmosphere

With 2,2'-biquinoline; hydroxylamine hydrochloride; copper diacetate; sodium acetate; potassium carbonate; triethylamine; In methanol; dichloromethane; 1,2-dichloro-ethane; 3: |Sonogashira Cross-Coupling;

DOI:10.1002/anie.202110901

Downstream raw materials:

1-(2-chlorphenyl)-1-butanol