1,3-Benzenedicarboxylic acid, 2-[(1,1-dimethylethyl)sulfonyl]-

Base Information

Chemical Name:1,3-Benzenedicarboxylic acid, 2-[(1,1-dimethylethyl)sulfonyl]-
CAS No.:62261-24-9
Molecular Formula:C₁₂H₁₄O₆S
Molecular Weight:286.306
Hs Code.:
DSSTox Substance ID:DTXSID30349732
Wikidata:Q82125161
ChEMBL ID:CHEMBL1445998

Synonyms:62261-24-9;SMR000039659;1,3-Benzenedicarboxylic acid, 2-[(1,1-dimethylethyl)sulfonyl]-;Oprea1_429911;MLS000038346;CHEMBL1445998;DTXSID30349732;HMS2360J14;2-(t-butylsulfonyl)isophthalic acid;STK525762;AKOS005459411;2-(tert-butylsulfonyl)benzene-1,3-dicarboxylic acid

Suppliers and Price of 1,3-Benzenedicarboxylic acid, 2-[(1,1-dimethylethyl)sulfonyl]-

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 1,3-Benzenedicarboxylic acid, 2-[(1,1-dimethylethyl)sulfonyl]-

Chemical Property:

PSA：117.12000
LogP:2.73600
XLogP3:1.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:286.05110934
Heavy Atom Count:19
Complexity:445

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)S(=O)(=O)C1=C(C=CC=C1C(=O)O)C(=O)O

Technology Process of 1,3-Benzenedicarboxylic acid, 2-[(1,1-dimethylethyl)sulfonyl]-

There total 4 articles about 1,3-Benzenedicarboxylic acid, 2-[(1,1-dimethylethyl)sulfonyl]- 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:

: 62261-14-7
2,6-dibromobenzenethiol

: 62261-24-9
2-(t-Butylsulfonyl)-isophtalsaeure

Guidance literature:: Multi-step reaction with 3 steps

1: aq. H₂SO₄

2: aq. H₂O₂, AcOH

3: (i) nBuLi, (ii) /BRN= 1900390/

With sulfuric acid; dihydrogen peroxide; acetic acid;
DOI:10.1007/BF00973397

Reference yield:

: 62261-15-8
2,6-dibromo-1-(tert-butylthio)benzene

: 62261-24-9
2-(t-Butylsulfonyl)-isophtalsaeure

Guidance literature:: Multi-step reaction with 2 steps

1: aq. H₂O₂, AcOH

2: (i) nBuLi, (ii) /BRN= 1900390/

With dihydrogen peroxide; acetic acid;
DOI:10.1007/BF00973397

Reference yield:

: 608-30-0
2,6-dibromoaniline

: 62261-24-9
2-(t-Butylsulfonyl)-isophtalsaeure

Guidance literature:: Multi-step reaction with 4 steps

1: (i) aq. HCl, NaNO₂, (ii) aq. (EtOCS₂)2Ca

2: aq. H₂SO₄

3: aq. H₂O₂, AcOH

4: (i) nBuLi, (ii) /BRN= 1900390/

With sulfuric acid; dihydrogen peroxide; acetic acid;
DOI:10.1007/BF00973397