3,4,5-Trimethyl-4-nitro-2,5-cyclohexadien-1-one

Base Information

Chemical Name:3,4,5-Trimethyl-4-nitro-2,5-cyclohexadien-1-one
CAS No.:32591-49-4
Molecular Formula:C9H11NO3
Molecular Weight:181.191
Hs Code.:
DSSTox Substance ID:DTXSID401243724

Synonyms:3,4,5-Trimethyl-4-nitro-2,5-cyclohexadien-1-one;DTXSID401243724;32591-49-4

Suppliers and Price of 3,4,5-Trimethyl-4-nitro-2,5-cyclohexadien-1-one

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

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Chemical Property of 3,4,5-Trimethyl-4-nitro-2,5-cyclohexadien-1-one

Chemical Property:

XLogP3:0.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:181.07389321
Heavy Atom Count:13
Complexity:311

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC(=O)C=C(C1(C)[N+](=O)[O-])C

Technology Process of 3,4,5-Trimethyl-4-nitro-2,5-cyclohexadien-1-one

There total 7 articles about 3,4,5-Trimethyl-4-nitro-2,5-cyclohexadien-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: 39.0%

: 527-54-8
3,4,5-trimethylphenol

: 32591-49-4
3,4,5-trimethyl-4-nitrocyclohexa-2,5-dien-1-one

: 125065-86-3
3,4,5-trimethyl-2,4,6-trinitrocyclohexa-2,5-dienone

: 125065-85-2
3,4,5-trimethyl-2,4-dinitrocyclohexa-2,5-dienone

Guidance literature:: With Nitrogen dioxide; In dichloromethane; at -23 ℃; for 1h;

Reference yield:

: 526-73-8
1,2,3-trimethylbenzene

: 32591-49-4
3,4,5-trimethyl-4-nitrocyclohexa-2,5-dien-1-one

: 1128-19-4
2,3,4-trimethyl-1-nitrobenzene

: 4,5,6-trimethyl-1-nitrophenol

: 3,4,5-trimethyl-1-trinitromethylbenzene

Guidance literature:: With tetranitromethane; In acetonitrile; at -50 ℃; for 4h; Further byproducts given; Irradiation;
DOI:10.3891/acta.chem.scand.50-0029

Reference yield:

: 526-73-8
1,2,3-trimethylbenzene

: 32591-49-4
3,4,5-trimethyl-4-nitrocyclohexa-2,5-dien-1-one

: 1128-19-4
2,3,4-trimethyl-1-nitrobenzene

: 2,3,4-trimethyl-4-nitrocyclohexa-2,5-dien-1-one

: 3,4,5-trimethyl-1-trinitromethylbenzene

Guidance literature:: With tetranitromethane; In acetonitrile; at -50 ℃; for 4h; Further byproducts given. Title compound not separated from byproducts; Irradiation;
DOI:10.3891/acta.chem.scand.50-0029