2-Hydroxy-3-(4-methylphenyl)cyclohex-2-en-1-one

Base Information

Chemical Name:2-Hydroxy-3-(4-methylphenyl)cyclohex-2-en-1-one
CAS No.:70871-46-4
Molecular Formula:C13H14O2
Molecular Weight:202.24906
Hs Code.:2914400090
DSSTox Substance ID:DTXSID701242632
Nikkaji Number:J974.727C
Mol file:70871-46-4.mol

Synonyms:70871-46-4;DTXSID701242632;AKOS015967091;2-Hydroxy-3-(4-methylphenyl)-2-cyclohexen-1-one

Suppliers and Price of 2-Hydroxy-3-(4-methylphenyl)cyclohex-2-en-1-one

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
2-HYDROXY-3-PARA-TOLYL-CYCLOHEX-2-ENONE 95.00%
5MG
$ 497.70

Total 3 raw suppliers

Chemical Property of 2-Hydroxy-3-(4-methylphenyl)cyclohex-2-en-1-one

Chemical Property:

Vapor Pressure:1.22E-05mmHg at 25°C
Refractive Index:1.602
Boiling Point:354.6°C at 760 mmHg
PKA:8.88±0.20(Predicted)
Flash Point:151.2°C
PSA：37.30000
Density:1.191g/cm³
LogP:3.01710
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:202.099379685
Heavy Atom Count:15
Complexity:283

Purity/Quality:

99% ^*data from raw suppliers

2-HYDROXY-3-PARA-TOLYL-CYCLOHEX-2-ENONE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=C(C=C1)C2=C(C(=O)CCC2)O

Technology Process of 2-Hydroxy-3-(4-methylphenyl)cyclohex-2-en-1-one

There total 4 articles about 2-Hydroxy-3-(4-methylphenyl)cyclohex-2-en-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: 53.0%

: 10316-66-2
2-hydroxy-2-cyclohexen-1-one

: 106-38-7
para-bromotoluene

: 70871-46-4
2-hydroxy-3-(4-methylphenyl)-2-cyclohexen-1-one

Guidance literature:: With water; N-ethyl-N,N-diisopropylamine; triphenylphosphine; palladium diacetate; In N,N-dimethyl-formamide; at 100 ℃; for 16h;
DOI:10.1021/jo980221b

Reference yield:

: 6705-49-3
7-oxabicyclo[4.1.0]heptan-2-one

: 106-38-7
para-bromotoluene

: 70871-46-4
2-hydroxy-3-(4-methylphenyl)-2-cyclohexen-1-one

Guidance literature:: With sodium acetate; palladium diacetate; ethylene glycol; poly(ethylene glycol); In water; acetonitrile; at 150 ℃; for 0.333333h; microwave irradiation;
DOI:10.1021/jo0504619

Reference yield:

: 765-87-7
cyclohexane-1,2-dione

: 70871-46-4
2-hydroxy-3-(4-methylphenyl)-2-cyclohexen-1-one

Guidance literature:: Multi-step reaction with 2 steps

1: 60 percent / K₂CO₃ / acetone / 24 h / Ambient temperature

2: 45 percent / diethyl ether; methanol / 5 h / Irradiation

With potassium carbonate; In methanol; diethyl ether; acetone;
DOI:10.1021/jo00187a011