4-(3-Hydroxypropylthio)-3-methoxycarbonylbenzenesulfonamide

Base Information

Chemical Name:4-(3-Hydroxypropylthio)-3-methoxycarbonylbenzenesulfonamide
CAS No.:108966-66-1
Molecular Formula:C₁₁H₁₅NO₅S₂
Molecular Weight:305.376
Hs Code.:
ChEMBL ID:CHEMBL319437
DSSTox Substance ID:DTXSID20872125
Nikkaji Number:J459.535A

Synonyms:CHEMBL319437;108966-66-1;4-(3-hydroxypropylthio)-3-methoxycarbonylbenzenesulfonamide;SCHEMBL10529657;DTXSID20872125;SYBOVEKRUUVUTO-UHFFFAOYSA-N;BDBM50406433;Methyl 2-[(3-hydroxypropyl)sulfonyl]-5-sulfamoylbenzoate

Suppliers and Price of 4-(3-Hydroxypropylthio)-3-methoxycarbonylbenzenesulfonamide

Supply Marketing:

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

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Chemical Property of 4-(3-Hydroxypropylthio)-3-methoxycarbonylbenzenesulfonamide

Chemical Property:

XLogP3:0.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:305.03916493
Heavy Atom Count:19
Complexity:392

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of 4-(3-Hydroxypropylthio)-3-methoxycarbonylbenzenesulfonamide

There total 4 articles about 4-(3-Hydroxypropylthio)-3-methoxycarbonylbenzenesulfonamide 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:

concentrated H₂ SO₄: concentrated H₂ SO₄

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

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

Guidance literature:: In methanol; water;

Reference yield:

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

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

Guidance literature:: Multi-step reaction with 4 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

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

Reference yield:

: 108966-63-8
N,N-dimethyl-N'-<<4-chloro-3-(methoxycarbonyl)phenyl>sulfonyl>formamidine

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

Guidance literature:: Multi-step reaction with 3 steps

1: dimethylformamide / 3 h / 80 °C

2: 10percent aq. NaOH / 0.5 h

3: 13.5 g / conc. H₂SO₄ / 5 h / Heating

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