4-Hydroperoxy-4-methylcyclohexa-2,5-dien-1-one

Base Information

Chemical Name:4-Hydroperoxy-4-methylcyclohexa-2,5-dien-1-one
CAS No.:57749-82-3
Molecular Formula:C7H8O3
Molecular Weight:140.139
Hs Code.:
DSSTox Substance ID:DTXSID40541402
Nikkaji Number:J3.104.611D

Synonyms:4-Hydroperoxy-4-methylcyclohexa-2,5-dien-1-one;57749-82-3;DTXSID40541402;4-methyl-4-hydroperoxycyclohexa-2,5-dienone

Suppliers and Price of 4-Hydroperoxy-4-methylcyclohexa-2,5-dien-1-one

Supply Marketing:

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

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Chemical Property of 4-Hydroperoxy-4-methylcyclohexa-2,5-dien-1-one

Chemical Property:

PSA：46.53000
LogP:0.92980
XLogP3:0.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:140.047344113
Heavy Atom Count:10
Complexity:187

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(C=CC(=O)C=C1)OO

Technology Process of 4-Hydroperoxy-4-methylcyclohexa-2,5-dien-1-one

There total 8 articles about 4-Hydroperoxy-4-methylcyclohexa-2,5-dien-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: 93.0%

: 106-44-5
p-cresol

: 57749-82-3
4-hydroperoxy-4-methyl-2,5-cyclohexadien-1-one

Guidance literature:: With Oxone; sodium hydrogencarbonate; In water; acetonitrile; at 25 ℃; for 0.583333h;
DOI:10.1002/anie.200504605

Reference yield: 10.0%

: 106-44-5
p-cresol

: 546-24-7,15413-34-0,68789-13-9
4a,9b-dihydro-8,9b-dimethyl-3-(4H)-dibenzofuranone (Pummerer's ketone)

: 23438-23-5
4-hydroxy-4-methyl-cyclohexa-2,5-dienone

: 57749-82-3
4-hydroperoxy-4-methyl-2,5-cyclohexadien-1-one

Guidance literature:: With oxygen; rose bengal; In methanol; at 0 ℃; for 10h; Irradiation; var. solv.;
DOI:10.1016/S0040-4020(01)89229-2

Reference yield: 8.0%

: 106-44-5
p-cresol

: 120-12-7
anthracene

: 4741-24-6
9,10-epidioxy-9,10-dihydroanthracene

: 57749-82-3
4-hydroperoxy-4-methyl-2,5-cyclohexadien-1-one

Guidance literature:: With 2,6-diiodo-4,4-difluoro-1,3,5,7-tetramethyl-8-phenyl-4-bora-3a,4a-diaza-s-indacene; oxygen; In chloroform-d1; at 20 ℃; for 2h; Schlenk technique; Irradiation;
DOI:10.1055/s-0039-1690796