1-(3,4-Dichlorophenyl)-3-phenylpropan-1-one

Base Information

• Chemical Name: 1-(3,4-Dichlorophenyl)-3-phenylpropan-1-one
• CAS No.: 49747-54-8
• Molecular Formula: C15H12Cl2O
• Molecular Weight: 279.16100
• DSSTox Substance ID: DTXSID90593017
• Wikidata: Q82487392
• Mol file: 49747-54-8.mol

Synonyms:1-(3,4-Dichlorophenyl)-3-phenylpropan-1-one;3',4'-DICHLORO-3-PHENYLPROPIOPHENONE;49747-54-8;59826-47-0;MFCD03842952;SCHEMBL8097067;DTXSID90593017;AKOS009376404

Chemical Property of 1-(3,4-Dichlorophenyl)-3-phenylpropan-1-one

Chemical Property:

• Vapor Pressure: 4.17E-07mmHg at 25°C
• Boiling Point: 415.3oC at 760 mmHg
• Flash Point: 175.4oC
• PSA: 17.07000
• Density: 1.257g/cm3
• LogP: 4.80890
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 278.0265204
• Heavy Atom Count: 18
• Complexity: 274

Purity/Quality:

97% ^*data from raw suppliers

3',4'-Dichloro-3-phenylpropiophenone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CCC(=O)C2=CC(=C(C=C2)Cl)Cl

Technology Process of 1-(3,4-Dichlorophenyl)-3-phenylpropan-1-one

There total 2 articles about 1-(3,4-Dichlorophenyl)-3-phenylpropan-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: 33.0%

3,4-dichlophenylboronic acid (151169-75-4) + hydrocinnamic acid chloride (645-45-4) → 1-(3',4'-dichlorophenyl)-3-phenyl propanone (49747-54-8)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; potassium phosphate; In toluene; at 80 ℃;

DOI:10.1016/j.bmcl.2004.10.023

Reference yield:

3,4-dichlorochalcone (59826-47-0) → 1-(3',4'-dichlorophenyl)-3-phenyl propanone (49747-54-8)

Guidance literature:

With hydrogen; palladium on activated charcoal;

Reference yield: 49.0%

1-(3',4'-dichlorophenyl)-3-phenyl propanone (49747-54-8) + thiosemicarbazide (79-19-6) → C16H15Cl2N3S

Guidance literature:

With acetic acid; In ethanol; at 70 ℃; for 72h;

DOI:10.1016/j.bmcl.2004.10.023

upstream raw materials:

3,4-dichlorochalcone

3,4-dichlophenylboronic acid

hydrocinnamic acid chloride

Downstream raw materials:

1-(3,4-Dichloro-phenyl)-3-phenyl-propan-1-ol

1-chloro-1-(3,4-dichloro-phenyl)-3-phenyl-propane

2-hydroxy-3-benzyl-4-(3',4'-dichlorophenyl)-4-oxo-butanoic acid