2,2-Dichloropropiophenone

Base Information

• Chemical Name: 2,2-Dichloropropiophenone
• CAS No.: 57169-51-4
• Molecular Formula: C9H8Cl2O
• Molecular Weight: 203.068
• DSSTox Substance ID: DTXSID00426822
• Nikkaji Number: J336.254J
• Wikidata: Q82239628
• Mol file: 57169-51-4.mol

Synonyms:2,2-DICHLOROPROPIOPHENONE;2,2-dichloro-1-phenylpropan-1-one;57169-51-4;SCHEMBL2255352;DTXSID00426822;FT-0622091

Chemical Property of 2,2-Dichloropropiophenone

Chemical Property:

• Vapor Pressure: 0.0112mmHg at 25°C
• Refractive Index: 1.543
• Boiling Point: 262°C at 760 mmHg
• Flash Point: 108.2°C
• PSA: 17.07000
• Density: 1.266g/cm³
• LogP: 3.06310
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 201.9952203
• Heavy Atom Count: 12
• Complexity: 171

Purity/Quality:

98%min ^*data from raw suppliers

ALPHA ALPHA-DICHLOROPROPIOPHENONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/38:Irritating to eyes and skin.
• Hazard Codes: R36/38:Irritating to eyes and skin.
• Statements: R36/38:Irritating to eyes and skin.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39:Wear suitabl

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,2-Dichloropropiophenone

There total 16 articles about 2,2-Dichloropropiophenone 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: 94.2%

2N-hydrochloric acid + 1-phenyl-propan-1-one (93-55-0) → 2,2-dichloro-1-phenylpropan-1-one (57169-51-4)

Guidance literature:

In N,N-dimethyl-formamide;

Reference yield: 93.0%

1-phenyl-propan-1-one (93-55-0) → 2,2-dichloro-1-phenylpropan-1-one (57169-51-4)

Guidance literature:

With manganese triacetate; lithium chloride; In acetic acid; for 3h; Product distribution; Mechanism; Heating;

DOI:10.1246/bcsj.58.142

Reference yield: 91.0%

benzoic acid methyl ester (93-58-3,5705-52-2,80226-58-0) + 1,1-dichloroethane (75-34-3) → 2,2-dichloro-1-phenylpropan-1-one (57169-51-4)

Guidance literature:

1,1-dichloroethane; With N,N,N,N,N,N-hexamethylphosphoric triamide; n-butyllithium; In tetrahydrofuran; diethyl ether; hexane; at -100 ℃; for 0.5h;

benzoic acid methyl ester; In diethyl ether; at -78 ℃; for 0.75h;

DOI:10.1246/cl.2000.190

upstream raw materials:

1-Phenylprop-1-yne

[2,2-Dichloro-1-phenyl-prop-(Z)-ylidene]-isopropyl-amine

C₂₂H₁₈Cl₂N₂

C₂₃H₂₀Cl₂N₂

Downstream raw materials:

2,2-dichloro-1,3-diphenylpropane-1,3-diol

2,3-Dimethyl-1,4-diphenylbutan-1,4-diol

1-phenyl-1,2-propandiol

1-Deuterio-2,2-dichlor-1-phenyl-1-propanol