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

Base Information

• Chemical Name: 3-Chloro-1-(4-propylphenyl)propan-1-one
• CAS No.: 91767-35-0
• Molecular Formula: C12H15ClO
• Molecular Weight: 210.704
• DSSTox Substance ID: DTXSID60570850
• Nikkaji Number: J964.383D
• Wikidata: Q82458410
• Mol file: 91767-35-0.mol

Synonyms:3-Chloro-1-(4-propylphenyl)propan-1-one;91767-35-0;SCHEMBL6937309;DTXSID60570850

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

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 210.0811428
• Heavy Atom Count: 14
• Complexity: 171

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1=CC=C(C=C1)C(=O)CCCl

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

There total 2 articles about 3-Chloro-1-(4-propylphenyl)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: 83.0%

phenylpropane (103-65-1) + 2-chloropropionyl chloride (625-36-5) → 3-chloro-1-(4-propyl-phenyl)-propan-1-one (91767-35-0)

Guidance literature:

With aluminium trichloride; In carbon disulfide; for 3h;

DOI:10.1080/00304949709355187

Reference yield:

phenylpropane (103-65-1) → 3-chloro-1-(4-propyl-phenyl)-propan-1-one (91767-35-0)

Guidance literature:

aluminium trichloride; In dichloromethane; water;

Reference yield: 90.0%

3-chloro-1-(4-propyl-phenyl)-propan-1-one (91767-35-0) + triethyl phosphite (122-52-1) → [3-Oxo-3-(4-propyl-phenyl)-propyl]-phosphonic acid diethyl ester

Guidance literature:

for 6h; Heating;

DOI:10.1080/00304949709355187

upstream raw materials:

phenylpropane

2-chloropropionyl chloride

Downstream raw materials:

1,1-dioxo-2-[3-oxo-3-(4-propyl-phenyl)-propyl]-1,2-dihydro-1λ⁶-benzo[d]isothiazol-3-one

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