5-(4-chlorophenyl)-2,2-dimethylfuran-3(2H)-one

Base Information

Chemical Name:5-(4-chlorophenyl)-2,2-dimethylfuran-3(2H)-one
CAS No.:111277-09-9
Molecular Formula:C12H11ClO2
Molecular Weight:222.671
Hs Code.:
ChEMBL ID:CHEMBL275864
DSSTox Substance ID:DTXSID00560932
Nikkaji Number:J269.897H
Mol file:111277-09-9.mol

Synonyms:5-(4-chlorophenyl)-2,2-dimethylfuran-3(2H)-one;111277-09-9;CHEMBL275864;SCHEMBL1419929;DTXSID00560932;MKMDTXXWHSHEOI-UHFFFAOYSA-N;5-(4-Chloro-phenyl)-2,2-dimethyl-furan-3-one

Suppliers and Price of 5-(4-chlorophenyl)-2,2-dimethylfuran-3(2H)-one

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 5-(4-chlorophenyl)-2,2-dimethylfuran-3(2H)-one

Chemical Property:

XLogP3:2.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:222.0447573
Heavy Atom Count:15
Complexity:299

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(C(=O)C=C(O1)C2=CC=C(C=C2)Cl)C

Technology Process of 5-(4-chlorophenyl)-2,2-dimethylfuran-3(2H)-one

There total 13 articles about 5-(4-chlorophenyl)-2,2-dimethylfuran-3(2H)-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: 68.0%

: 106-39-8
bromochlorobenzene

: 201230-82-2
carbon monoxide

: 115-19-5
2-methyl-but-3-yn-2-ol

: 111277-09-9
5-(p-chlorophenyl)-2,2-dimethyl-3(2H)-furanone

Guidance literature:: With carbon dioxide; triethylamine; bis-triphenylphosphine-palladium(II) chloride; at 100 ℃; for 8h;
DOI:10.1246/bcsj.62.3518

Reference yield: 62.0%

: 1202376-69-9
1-(4-chlorophenyl)-4-hydroxy-4-methylpent-2-yn-1-one

: 111277-09-9
5-(p-chlorophenyl)-2,2-dimethyl-3(2H)-furanone

Guidance literature:: With potassium hydroxide; In methanol; toluene; at 20 ℃; for 12h;
DOI:10.1007/s00706-018-2152-8

Reference yield:

: 115-19-5
2-methyl-but-3-yn-2-ol

: 111277-09-9
5-(p-chlorophenyl)-2,2-dimethyl-3(2H)-furanone

Guidance literature:: Multi-step reaction with 2 steps

1: 83 percent / NaOCl, Et₃N / CHCl₃; H₂O / Ambient temperature

2: 1.) H₂, Raney nickel, 2.) 2N aq. HCl / 1.) PtO₂ / 1.) CH₃OH, H₂O, 1 atm, 1 d, 2.) THF, overnight

With hydrogenchloride; sodium hypochlorite; hydrogen; nickel; triethylamine; platinum(IV) oxide; In chloroform; water;
DOI:10.1021/jm00085a003