Methyl 2-methyl-5-[[(4-methylphenyl)sulfonyl]oxy]-3-nitrobenzoate

Base Information

Chemical Name:Methyl 2-methyl-5-[[(4-methylphenyl)sulfonyl]oxy]-3-nitrobenzoate
CAS No.:88132-52-9
Molecular Formula:C16H15NO7S
Molecular Weight:365.364
Hs Code.:
DSSTox Substance ID:DTXSID401168196

Synonyms:DTXSID401168196;Methyl 2-methyl-5-[[(4-methylphenyl)sulfonyl]oxy]-3-nitrobenzoate;88132-52-9

Suppliers and Price of Methyl 2-methyl-5-[[(4-methylphenyl)sulfonyl]oxy]-3-nitrobenzoate

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of Methyl 2-methyl-5-[[(4-methylphenyl)sulfonyl]oxy]-3-nitrobenzoate

Chemical Property:

XLogP3:3.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:365.05692299
Heavy Atom Count:25
Complexity:587

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C(C(=C2)[N+](=O)[O-])C)C(=O)OC

Technology Process of Methyl 2-methyl-5-[[(4-methylphenyl)sulfonyl]oxy]-3-nitrobenzoate

There total 4 articles about Methyl 2-methyl-5-[[(4-methylphenyl)sulfonyl]oxy]-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: 95.0%

: 98-59-9
p-toluenesulfonyl chloride

: 88132-51-8
methyl 5-hydroxy-2-methyl-3-nitrobenzoate

: 88132-52-9
3-nitro-4-methyl-5-carbomethoxyphenyl p-toluenesulfonate

Guidance literature:: With potassium carbonate; In acetone; for 3.5h; Ambient temperature;
DOI:10.1021/jm00369a026

Reference yield:

: 52090-24-1
methyl 2-methyl-3,5-dinitrobenzoate

: 88132-52-9
3-nitro-4-methyl-5-carbomethoxyphenyl p-toluenesulfonate

Guidance literature:: Multi-step reaction with 4 steps

1: 60 percent / HCO₂NHEt₃ / 5percent Pd/C / acetonitrile / Heating

2: 70 percent / 48percent HBF₄, tert-butyl nitrite / ethanol / 0.5 h / 0 °C

3: Cu(NO₃)2*3H₂O, Cu₂O, 0.1 N H₂SO₄ / 0.25 h

4: 95 percent / K₂CO₃ / acetone / 3.5 h / Ambient temperature

With copper(I) oxide; tetrafluoroboric acid; tert.-butylnitrite; sulfuric acid; triethylammonium formate; potassium carbonate; copper(II) nitrate; palladium on activated charcoal; In ethanol; acetone; acetonitrile;
DOI:10.1021/jm00369a026

Reference yield:

: 88132-48-3
methyl 5-amino-2-methyl-3-nitrobenzoate

: 88132-52-9
3-nitro-4-methyl-5-carbomethoxyphenyl p-toluenesulfonate

Guidance literature:: Multi-step reaction with 3 steps

1: 70 percent / 48percent HBF₄, tert-butyl nitrite / ethanol / 0.5 h / 0 °C

2: Cu(NO₃)2*3H₂O, Cu₂O, 0.1 N H₂SO₄ / 0.25 h

3: 95 percent / K₂CO₃ / acetone / 3.5 h / Ambient temperature

With copper(I) oxide; tetrafluoroboric acid; tert.-butylnitrite; sulfuric acid; potassium carbonate; copper(II) nitrate; In ethanol; acetone;
DOI:10.1021/jm00369a026