1-(2,3,5,6-Tetramethyl-4-nitrophenyl)ethan-1-one

Base Information

Chemical Name:1-(2,3,5,6-Tetramethyl-4-nitrophenyl)ethan-1-one
CAS No.:64853-55-0
Molecular Formula:C12H15NO3
Molecular Weight:221.256
Hs Code.:
DSSTox Substance ID:DTXSID10495701
Wikidata:Q82343973

Synonyms:64853-55-0;1-(2,3,5,6-Tetramethyl-4-nitrophenyl)ethan-1-one;DTXSID10495701

Suppliers and Price of 1-(2,3,5,6-Tetramethyl-4-nitrophenyl)ethan-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 1-(2,3,5,6-Tetramethyl-4-nitrophenyl)ethan-1-one

Chemical Property:

XLogP3:2.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:221.10519334
Heavy Atom Count:16
Complexity:281

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C(=C(C(=C1C(=O)C)C)C)[N+](=O)[O-])C

Technology Process of 1-(2,3,5,6-Tetramethyl-4-nitrophenyl)ethan-1-one

There total 3 articles about 1-(2,3,5,6-Tetramethyl-4-nitrophenyl)ethan-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: 73.0%

: 2142-79-2
2,3,5,6-tetramethylacetophenone

: 64853-55-0
1-(2,3,5,6-tetramethyl-4-nitrophenyl) ethan-1-one

Guidance literature:: With nitric acid; In water; trifluoroacetic acid; at 20 ℃; for 2h;
DOI:10.1021/jacs.6b12840

Reference yield: 21.5%

: 2142-79-2
2,3,5,6-tetramethylacetophenone

: 64853-55-0
1-(2,3,5,6-tetramethyl-4-nitrophenyl) ethan-1-one

: 103224-57-3
3-(nitromethyl)-2,5,6-trimethylacetophenone

: 103224-56-2
2-(nitromethyl)-3,5,6-trimethylacetophenone

Guidance literature:: With nitric acid; acetic anhydride; at 0 ℃; for 2h;
DOI:10.1021/jo00368a006

Reference yield: 2.7%

: 2142-79-2
2,3,5,6-tetramethylacetophenone

: 527-35-5
2,3,5,6-tetramethylphenol

: 64853-55-0
1-(2,3,5,6-tetramethyl-4-nitrophenyl) ethan-1-one

: 32134-69-3
acetic acid 2,3,5,6-tetramethyl-phenyl ester

: 103224-58-4
Acetic acid 4-acetyl-2,3,5,6-tetramethyl-phenyl ester

: 103224-57-3
3-(nitromethyl)-2,5,6-trimethylacetophenone

: 103224-56-2
2-(nitromethyl)-3,5,6-trimethylacetophenone

Guidance literature:: With nitric acid; acetic anhydride; at 0 ℃; for 2h; Product distribution; Mechanism; var. polymethylacetophenones;
DOI:10.1021/jo00368a006