3-Chloro-1-(4-ethylphenyl)propan-1-one

Base Information

• Chemical Name: 3-Chloro-1-(4-ethylphenyl)propan-1-one
• CAS No.: 28547-31-1
• Molecular Formula: C11H13ClO
• Molecular Weight: 196.677
• DSSTox Substance ID: DTXSID50570849
• Nikkaji Number: J964.382F
• Wikidata: Q82458408
• Mol file: 28547-31-1.mol

Synonyms:28547-31-1;3-Chloro-1-(4-ethylphenyl)propan-1-one;1-Propanone, 3-chloro-1-(4-ethylphenyl)-;SCHEMBL5866548;DTXSID50570849

Chemical Property of 3-Chloro-1-(4-ethylphenyl)propan-1-one

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 196.0654927
• Heavy Atom Count: 13
• Complexity: 160

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC1=CC=C(C=C1)C(=O)CCCl

Technology Process of 3-Chloro-1-(4-ethylphenyl)propan-1-one

There total 3 articles about 3-Chloro-1-(4-ethylphenyl)propan-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: 90.0%

ethylbenzene (100-41-4,27536-89-6) + 2-chloropropionyl chloride (625-36-5) → 1-(4-ethyl-phenyl)-3-chloro-propan-1-one (28547-31-1)

Guidance literature:

With aluminium trichloride; In dichloromethane; for 4h; Ambient temperature;

Reference yield: 42.1%

→ 1-(4-ethyl-phenyl)-3-chloro-propan-1-one (28547-31-1)

Guidance literature:

Reference yield:

chloropropionic acid (107-94-8) → 1-(4-ethyl-phenyl)-3-chloro-propan-1-one (28547-31-1)

Guidance literature:

With phosphorus trichloride; anschliessend Kochen mit ueberschuessigem Aethylbenzol unter Zusatz von AlCl₃;

upstream raw materials:

chloropropionic acid

ethylbenzene

2-chloropropionyl chloride

Downstream raw materials:

1-(4-ethyl-phenyl)-3-methoxy-propan-1-one

5-ethylindan-1-one

terephthalic acid

5-Ethyl-2-(4-dimethylamino-benzyliden)-indanon-⁽¹⁾

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