Methyl 2-(3-hydroxypropylsulfonyl)-5-sulfamoylbenzoate

Base Information

Chemical Name:Methyl 2-(3-hydroxypropylsulfonyl)-5-sulfamoylbenzoate
CAS No.:108966-67-2
Molecular Formula:C₁₁H₁₅NO₇S₂
Molecular Weight:337.375
Hs Code.:
ChEMBL ID:CHEMBL321553
DSSTox Substance ID:DTXSID701025250
Nikkaji Number:J459.536J

Synonyms:CHEMBL321553;108966-67-2;SCHEMBL10529772;DTXSID701025250;BDBM50406437;methyl 2-(3-hydroxypropylsulfonyl)-5-sulfamoylbenzoate

Suppliers and Price of Methyl 2-(3-hydroxypropylsulfonyl)-5-sulfamoylbenzoate

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-(3-hydroxypropylsulfonyl)-5-sulfamoylbenzoate

Chemical Property:

XLogP3:-0.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:337.02899416
Heavy Atom Count:21
Complexity:558

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N)S(=O)(=O)CCCO

Technology Process of Methyl 2-(3-hydroxypropylsulfonyl)-5-sulfamoylbenzoate

There total 5 articles about Methyl 2-(3-hydroxypropylsulfonyl)-5-sulfamoylbenzoate 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:

: 108966-66-1
4-(3-hydroxypropylthio)-3-methoxycarbonylbenzenesulfonamide

: 108966-67-2
2-(3-Hydroxy-propane-1-sulfonyl)-5-sulfamoyl-benzoic acid methyl ester

Guidance literature:: With Oxone; In water; for 18h;
DOI:10.1021/jm00114a020

Reference yield:

: 61508-36-9
4-chloro-3-methoxy-carbonylbenzenesulfonamide

: 108966-67-2
2-(3-Hydroxy-propane-1-sulfonyl)-5-sulfamoyl-benzoic acid methyl ester

Guidance literature:: Multi-step reaction with 5 steps

1: 0.65 g / acetonitrile / 1 h

2: dimethylformamide / 3 h / 80 °C

3: 10percent aq. NaOH / 0.5 h

4: 13.5 g / conc. H₂SO₄ / 5 h / Heating

5: Oxone / H₂O / 18 h

With Oxone; sodium hydroxide; sulfuric acid; In water; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1021/jm00114a020

Reference yield:

: 108966-62-7
4-(3-hydroxypropylthio)-3-carboxybenzenesulfonamide

: 108966-67-2
2-(3-Hydroxy-propane-1-sulfonyl)-5-sulfamoyl-benzoic acid methyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: 13.5 g / conc. H₂SO₄ / 5 h / Heating

2: Oxone / H₂O / 18 h

With Oxone; sulfuric acid; In water;
DOI:10.1021/jm00114a020