2,5-Cyclohexadiene-1,4-dione, 2-(4-methylphenyl)-

Base Information

• Chemical Name: 2,5-Cyclohexadiene-1,4-dione, 2-(4-methylphenyl)-
• CAS No.: 30237-07-1
• Molecular Formula: C13H10 O2
• Molecular Weight: 198.221
• Hs Code.: 2914399090
• European Community (EC) Number: 250-098-6
• DSSTox Substance ID: DTXSID1067544
• Nikkaji Number: J21.999A
• Wikidata: Q81994159
• ChEMBL ID: CHEMBL2252839
• Mol file: 30237-07-1.mol

Synonyms:2-(p-Tolyl)-p-benzoquinone;30237-07-1;2,5-Cyclohexadiene-1,4-dione, 2-(4-methylphenyl)-;2-(4-methylphenyl)cyclohexa-2,5-diene-1,4-dione;CHEMBL2252839;EINECS 250-098-6;2-(4-Methylphenyl)-2,5-cyclohexadiene-1,4-dione;ChemDiv3_002479;SCHEMBL3786541;DTXSID1067544;HMS1480A15;2-(4-methylphenyl)-p-benzoquinone;BDBM50545367;2-(4-methylphenyl)benzo-1,4-quinone;AKOS001659422;2-(4-methylphenyl)-1,4-benzo-quinone;FT-0691245

Chemical Property of 2,5-Cyclohexadiene-1,4-dione, 2-(4-methylphenyl)-

Chemical Property:

• Vapor Pressure: 5.15E-05mmHg at 25°C
• Melting Point: 138-139 °C
• Boiling Point: 348.1°Cat760mmHg
• Flash Point: 130.6°C
• PSA: 34.14000
• Density: 1.205g/cm³
• LogP: 2.08640
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 198.068079557
• Heavy Atom Count: 15
• Complexity: 342

Purity/Quality:

99% ^*data from raw suppliers

2-(4-METHYLPHENYL)-P-BENZOQUINONE 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=CC(=O)C=CC2=O

Technology Process of 2,5-Cyclohexadiene-1,4-dione, 2-(4-methylphenyl)-

There total 20 articles about 2,5-Cyclohexadiene-1,4-dione, 2-(4-methylphenyl)- 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: 95.0%

4-methylphenylboronic acid (5720-05-8) + p-benzoquinone (106-51-4) → p-tolyl-[1,4]benzoquinone (30237-07-1)

Guidance literature:

With Iron(III) nitrate nonahydrate; dipotassium peroxodisulfate; In water; at 70 ℃; for 24h; Schlenk technique;

DOI:10.1002/ejoc.201300743

Reference yield: 90.0%

4-methylphenylboronic acid (5720-05-8) + hydroquinone (123-31-9,8027-02-9) → p-tolyl-[1,4]benzoquinone (30237-07-1)

Guidance literature:

With Iron(III) nitrate nonahydrate; dipotassium peroxodisulfate; In water; at 70 ℃; for 24h; Schlenk technique;

DOI:10.1002/ejoc.201300743

Reference yield: 83.0%

4-tolyl iodide (624-31-7) + p-benzoquinone (106-51-4) → p-tolyl-[1,4]benzoquinone (30237-07-1)

Guidance literature:

With palladium diacetate; caesium carbonate; In 1,2-dichloro-ethane; for 24h; Reflux;

DOI:10.1134/S1070363214080295

upstream raw materials:

N-nitroso-p-methyl-acetanilide

p-benzoquinone

(4-methylphenyl)-hydroquinone

4-methylbenzenediazonium tetrafluoroborate

Downstream raw materials:

2-(4-methylphenyl)naphthalene-1,4-dione

(4-methylphenyl)-hydroquinone

1,3-Diphenyl-6-p-tolyl-1H-indazole-4,7-dione

(3aS,8aR)-1,3,5,7-Tetraphenyl-8a-p-tolyl-3a,8a-dihydro-1H,7H-benzo[1,2-c;5,4-c']dipyrazole-4,8-dione