3-CARBOXYPROPANESULFONAMIDE

Base Information

• Chemical Name: 3-CARBOXYPROPANESULFONAMIDE
• CAS No.: 175476-52-5
• Molecular Formula: C4H9NO4S
• Molecular Weight: 167.186
• Hs Code.: 2935 90 90
• European Community (EC) Number: 626-975-8
• DSSTox Substance ID: DTXSID80378370
• Wikidata: Q72509110
• Mol file: 175476-52-5.mol

Synonyms:3-Carboxypropanesulphonamide;

Chemical Property of 3-CARBOXYPROPANESULFONAMIDE

Chemical Property:

• Vapor Pressure: 3.23E-08mmHg at 25°C
• Melting Point: 90 °C (dec.)
• Boiling Point: 419.598 °C at 760 mmHg
• PKA: 4.54±0.10(Predicted)
• Flash Point: 207.565 °C
• PSA: 105.84000
• Density: 1.468 g/cm³
• LogP: 0.92080
• Storage Temp.: Store at 0-5°C
• Solubility.: DMSO, Methanol
• XLogP3: -1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 167.02522894
• Heavy Atom Count: 10
• Complexity: 202

Purity/Quality:

98%, ^*data from raw suppliers

4-Sulfamoylbutyric acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(CC(=O)O)CS(=O)(=O)N
• Uses: A solid phase organic linker for synthesis of tethering carboxylic acids to support. A solid phase organic linker for synthesis of tethering carboxylic acids to support

Technology Process of 3-CARBOXYPROPANESULFONAMIDE

There total 1 articles about 3-CARBOXYPROPANESULFONAMIDE 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: 85.0%

(4-sulfamoyl)butyric acid methyl ester (175476-51-4) → 3-carboxypropane sulfonamide (175476-52-5)

Guidance literature:

With potassium hydroxide; for 4h; Heating;

DOI:10.1021/jo981990y

Reference yield: 75.0%

benzyl bromide (100-39-0) + 3-carboxypropane sulfonamide (175476-52-5) → sulfamylbutyric acid benzyl ester (1034774-65-6)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; potassium iodide; In N,N-dimethyl-formamide;

DOI:10.1039/c2cc15911b

Reference yield: 60.0%

{[4-(2'-Amino-6'-methyl-biphenyl-3-sulfonyl)-5-methylsulfanyl-thiophen-2-yl]-imino-methyl}-carbamic acid tert-butyl ester + 3-carboxypropane sulfonamide (175476-52-5) → (imino-{4-[6'-methyl-2'-(4-sulfamoyl-butyrylamino)-biphenyl-3-sulfonyl]-5-methylsulfanyl-thiophen-2-yl}-methyl)-carbamic acid tert-butyl ester (631910-86-6)

Guidance literature:

With benzotriazol-1-ol; In ethyl acetate; N,N-dimethyl-formamide;

upstream raw materials:

(4-sulfamoyl)butyric acid methyl ester

Downstream raw materials:

(imino-{4-[6'-methyl-2'-(4-sulfamoyl-butyrylamino)-biphenyl-3-sulfonyl]-5-methylsulfanyl-thiophen-2-yl}-methyl)-carbamic acid tert-butyl ester

C₃₇H₄₈N₄O₁₄S

sulfamylbutyric acid benzyl ester

Refernces