3-Propanoylbenzoyl chloride

Base Information

• Chemical Name: 3-Propanoylbenzoyl chloride
• CAS No.: 72563-47-4
• Molecular Formula: C10H9 Cl O2
• Molecular Weight: 196.633
• DSSTox Substance ID: DTXSID50551219
• Wikidata: Q82430761
• Mol file: 72563-47-4.mol

Synonyms:72563-47-4;3-propanoylbenzoyl chloride;DTXSID50551219;Benzoyl chloride,3-(1-oxopropyl)-(9ci)

Chemical Property of 3-Propanoylbenzoyl chloride

Chemical Property:

• PSA: 34.14000
• LogP: 2.65830
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 196.0291072
• Heavy Atom Count: 13
• Complexity: 213

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)C1=CC(=CC=C1)C(=O)Cl

Technology Process of 3-Propanoylbenzoyl chloride

There total 4 articles about 3-Propanoylbenzoyl chloride 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:

3-hydroxycarbonyl-propiophenone (74380-71-5) → 3-propionylbenzoyl chloride (72563-47-4)

Guidance literature:

With thionyl chloride; In benzene; for 1h; Heating;

DOI:10.1016/S0040-4020(01)80835-8

Reference yield:

1-(3-bromophenyl)-1-propanone (19829-31-3) → 3-propionylbenzoyl chloride (72563-47-4)

Guidance literature:

Multi-step reaction with 3 steps

1: 86 percent / dimethylformamide / 6 h / Heating

2: 78 percent / KOH / ethanol / 2 h / Heating

3: SOCl₂ / benzene / 1 h / Heating

With potassium hydroxide; thionyl chloride; In ethanol; N,N-dimethyl-formamide; benzene;

DOI:10.1016/S0040-4020(01)80835-8

Reference yield:

3-propionylbenzonitrile (50916-34-2) → 3-propionylbenzoyl chloride (72563-47-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 78 percent / KOH / ethanol / 2 h / Heating

2: SOCl₂ / benzene / 1 h / Heating

With potassium hydroxide; thionyl chloride; In ethanol; benzene;

DOI:10.1016/S0040-4020(01)80835-8

upstream raw materials:

3-hydroxycarbonyl-propiophenone

1-(3-bromophenyl)-1-propanone

3-propionylbenzonitrile

Downstream raw materials:

1-(3-benzoylphenyl)propan-1-one

3-benzoyl-α-chloro-propiophenone