Methyl 2-(acetyloxy)-6-methyl-3-nitrobenzoate

Base Information

Chemical Name:Methyl 2-(acetyloxy)-6-methyl-3-nitrobenzoate
CAS No.:89586-13-0
Molecular Formula:C11H11NO6
Molecular Weight:253.211
Hs Code.:
DSSTox Substance ID:DTXSID50519051
Wikidata:Q82381976

Synonyms:89586-13-0;Methyl 2-(acetyloxy)-6-methyl-3-nitrobenzoate;DTXSID50519051

Suppliers and Price of Methyl 2-(acetyloxy)-6-methyl-3-nitrobenzoate

Supply Marketing:

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

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Chemical Property of Methyl 2-(acetyloxy)-6-methyl-3-nitrobenzoate

Chemical Property:

XLogP3:1.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:253.05863707
Heavy Atom Count:18
Complexity:350

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of Methyl 2-(acetyloxy)-6-methyl-3-nitrobenzoate

There total 3 articles about Methyl 2-(acetyloxy)-6-methyl-3-nitrobenzoate 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: 42.5%

: 42731-40-8
3-oxo-butyraldehyde; sodium (Z)-1-enolate

: 87730-77-6
methyl 4-nitro-3-oxobutyrate

: 89586-14-1
methyl 2-acetoxy-4-methyl-3-nitrobenzoate

: 89586-13-0
methyl 2-acetoxy-6-methyl-3-nitrobenzoate

Guidance literature:: With 4 A molecular sieve; N,N-diisopropylethylamine hydrochloride; Yield given. Multistep reaction; 1.) THF, 7 d, 2.) pyridine;
DOI:10.1002/hlca.19830660821

Reference yield:

: 51731-17-0
trans-4-methoxy-3-buten-2-one

: 87730-77-6
methyl 4-nitro-3-oxobutyrate

: 89586-14-1
methyl 2-acetoxy-4-methyl-3-nitrobenzoate

: 89586-13-0
methyl 2-acetoxy-6-methyl-3-nitrobenzoate

Guidance literature:: With N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; for 180h; Ambient temperature;
DOI:10.1002/hlca.19830660821

Reference yield:

: 51731-17-0
trans-4-methoxy-3-buten-2-one

: 108-24-7
acetic anhydride

: 87730-77-6
methyl 4-nitro-3-oxobutyrate

: 89586-14-1
methyl 2-acetoxy-4-methyl-3-nitrobenzoate

: 89586-13-0
methyl 2-acetoxy-6-methyl-3-nitrobenzoate

Guidance literature:: With 4 A molecular sieve; N-ethyl-N,N-diisopropylamine; Yield given. Multistep reaction; 1.) THF, r.t., 7.5 d; 2.) pyridine;
DOI:10.1002/hlca.19830660821