Ethyl 3-benzenesulfonamidopropanoate

Base Information

• Chemical Name: Ethyl 3-benzenesulfonamidopropanoate
• CAS No.: 51786-12-0
• Molecular Formula: C₁₁H₁₅NO₄S
• Molecular Weight: 257.31
• DSSTox Substance ID: DTXSID001264196
• Nikkaji Number: J2.730.529F
• Mol file: 51786-12-0.mol

Synonyms:ethyl 3-benzenesulfonamidopropanoate;51786-12-0;Ethyl 3-(benzenesulfonamido)propanoate;beta-Alanine, N-(phenylsulfonyl)-, ethyl ester;SCHEMBL2705227;ethyl3-benzenesulfonamidopropanoate;ZKUQMYDPWHJKFL-UHFFFAOYSA-N;DTXSID001264196;BCA78612;AKOS008949884;3-benzenesulfonylaminopropionic acid ethyl ester;EN300-113699;3-(Phenylsulfonylamino)propionic acid ethyl ester;AB00013259-01;Z54441807

Chemical Property of Ethyl 3-benzenesulfonamidopropanoate

Chemical Property:

• Boiling Point: 394.7±44.0 °C(Predicted)
• Density: 1.227±0.06 g/cm3(Predicted)
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 257.07217913
• Heavy Atom Count: 17
• Complexity: 328

Purity/Quality:

Ethyl3-benzenesulfonamidopropanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CCNS(=O)(=O)C1=CC=CC=C1

Technology Process of Ethyl 3-benzenesulfonamidopropanoate

There total 5 articles about Ethyl 3-benzenesulfonamidopropanoate 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: 95.0%

benzenesulfonamide (98-10-2) + ethyl acrylate (140-88-5,9003-32-1) → N-benzenesulfonyl-β-alanine ethyl ester (51786-12-0)

Guidance literature:

With phosphotungstic acid hydrate; at 80 ℃; for 2h; regioselective reaction;

Reference yield: 91.0%

C18H21NO4S (293748-90-0) → N-benzenesulfonyl-β-alanine ethyl ester (51786-12-0)

Guidance literature:

With Oxone; potassium bromide; In nitromethane; at 30 ℃; for 24h; Green chemistry;

DOI:10.1021/ol501703y

Reference yield: 89.0%

benzenesulfonamide (98-10-2) + ethyl acrylate (140-88-5,9003-32-1) → N-benzenesulfonyl-β-alanine ethyl ester (51786-12-0) + diethyl 3,3'-(phenylsulfonylazanediyl)dipropanoate (93149-42-9)

Guidance literature:

With aluminum oxide; potassium fluoride; tetrabutylammomium bromide; at 110 ℃; for 0.15h; Microwave irradiation;

DOI:10.1080/10426500802274625

upstream raw materials:

benzenesulfonamide

ethyl acrylate

3-amino-propionic acid ethyl ester

benzenesulfonyl chloride

Downstream raw materials:

3-benzenesulfonylamino-propionic acid