1-Chloro-4-phenyl-2-butanone

Base Information

• Chemical Name: 1-Chloro-4-phenyl-2-butanone
• CAS No.: 20845-80-1
• Molecular Formula: C10H11ClO
• Molecular Weight: 182.65
• DSSTox Substance ID: DTXSID20448369
• Nikkaji Number: J2.676.339H
• Wikidata: Q82267337
• Mol file: 20845-80-1.mol

Synonyms:1-chloro-4-phenylbutan-2-one;1-chloro-4-phenyl-2-butanone;20845-80-1;2-Butanone, 1-chloro-4-phenyl-;phenylethyl chloromethyl ketone;SCHEMBL1371070;1-Chloro-4-phenylbutane-2-one;DTXSID20448369;AUXNFZYATAMYJU-UHFFFAOYSA-N;AKOS017515219;1-Chloro-4-phenyl-2-butanone, AldrichCPR;EN300-250198;Z1255432257

Chemical Property of 1-Chloro-4-phenyl-2-butanone

Chemical Property:

• PSA: 17.07000
• LogP: 2.42710
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 182.0498427
• Heavy Atom Count: 12
• Complexity: 139

Purity/Quality:

99% ^*data from raw suppliers

1-chloro-4-phenylbutan-2-one ^*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)CCl

Technology Process of 1-Chloro-4-phenyl-2-butanone

There total 24 articles about 1-Chloro-4-phenyl-2-butanone 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: 100.0%

α-(trichloromethyl)benzenepropanol (82772-38-1) → 1-chloro-4-phenylbutan-2-one (20845-80-1)

Guidance literature:

With chromium dichloride; In tetrahydrofuran; at 20 ℃; for 3h;

DOI:10.1016/j.tetlet.2007.03.150

Reference yield: 83.0%

1-diazo-4-phenyl-2-butanone (10290-42-3) → 1-chloro-4-phenylbutan-2-one (20845-80-1)

Guidance literature:

With benzaldehyde; tin(ll) chloride; In dichloromethane; Ambient temperature;

DOI:10.1021/jo00305a029

Reference yield: 55.0%

1,1-dichloro-4-phenyl-1-(phenylsulfinyl)-2-butanol → 1-chloro-4-phenylbutan-2-one (20845-80-1)

Guidance literature:

With ethylmagnesium bromide; In tetrahydrofuran; at -78 - -45 ℃; for 1.5h;

DOI:10.1016/0040-4020(94)00989-8

upstream raw materials:

diazomethane

hydrocinnamic acid chloride

1-diazo-4-phenyl-2-butanone

phenethylmagnesium bromide

Downstream raw materials:

1-acetoxy-4-phenyl-2-butanone

N-(2-oxo-4-phenyl-butyl)-phthalimide

2-amino-6-phenethyl-3,7-dihydro-pyrimido[4,5-b][1,4]oxazin-4-one

2-(3-phenylpropionylmethylseleno)benzothiazole