2,4-Dinitrophenyl 2-methylpropane-2-sulfonate

Base Information

• Chemical Name: 2,4-Dinitrophenyl 2-methylpropane-2-sulfonate
• CAS No.: 112882-07-2
• Molecular Formula: C10H12N2O7S
• Molecular Weight: 304.28
• DSSTox Substance ID: DTXSID40550271
• Wikidata: Q82429527
• Mol file: 112882-07-2.mol

Synonyms:112882-07-2;2,4-Dinitrophenyl 2-methylpropane-2-sulfonate;DTXSID40550271

Chemical Property of 2,4-Dinitrophenyl 2-methylpropane-2-sulfonate

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 304.03652190
• Heavy Atom Count: 20
• Complexity: 480

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)S(=O)(=O)OC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

Technology Process of 2,4-Dinitrophenyl 2-methylpropane-2-sulfonate

There total 1 articles about 2,4-Dinitrophenyl 2-methylpropane-2-sulfonate 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: 79.0%

2-Methyl-propane-2-sulfinic acid 2,4-dinitro-phenyl ester (112881-95-5) → 2-Methyl-propane-2-sulfonic acid 2,4-dinitro-phenyl ester (112882-07-2)

Guidance literature:

With disodium hydrogenphosphate; trifluoroacetyl peroxide; In dichloromethane; Ambient temperature;

DOI:10.1055/s-1987-28045

Reference yield: 99.0%

methanolate (3315-60-4) + 2-Methyl-propane-2-sulfonic acid 2,4-dinitro-phenyl ester (112882-07-2) → 2,4-dinitroanisole (119-27-7)

Guidance literature:

In methanol; acetone; at 0 ℃; for 0.0833333h;

DOI:10.1016/S0040-4039(00)96057-X

upstream raw materials:

2-Methyl-propane-2-sulfinic acid 2,4-dinitro-phenyl ester

Downstream raw materials:

2,4-dinitroanisole