Methyl 3-[(4-methylphenyl)sulfonylamino]propanoate

Base Information

• Chemical Name: Methyl 3-[(4-methylphenyl)sulfonylamino]propanoate
• CAS No.: 62456-75-1
• Molecular Formula: C11H15NO4S
• Molecular Weight: 257.31
• NSC Number: 105606
• DSSTox Substance ID: DTXSID50295808
• Nikkaji Number: J1.082.022G
• Wikidata: Q82035974

Synonyms:62456-75-1;methyl 3-(4-methylbenzenesulfonamido)propanoate;methyl 3-[(4-methylphenyl)sulfonylamino]propanoate;NSC105606;NCIOpen2_007198;SCHEMBL8575945;DTXSID50295808;STL427214;AKOS008901831;NSC-105606;CS-0239770;methyl3-(4-methylbenzenesulfonamido)propanoate;EN300-218719;methyl N-[(4-methylphenyl)sulfonyl]-beta-alaninate;methyl 3-{[(4-methylphenyl)sulfonyl]amino}propanoate;Z15804032

Chemical Property of Methyl 3-[(4-methylphenyl)sulfonylamino]propanoate

Chemical Property:

• Vapor Pressure: 2.11E-06mmHg at 25°C
• Boiling Point: 393.5°Cat760mmHg
• Flash Point: 191.8°C
• Density: 1.229g/cm³
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 257.07217913
• Heavy Atom Count: 17
• Complexity: 339

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OC

Technology Process of Methyl 3-[(4-methylphenyl)sulfonylamino]propanoate

There total 18 articles about Methyl 3-[(4-methylphenyl)sulfonylamino]propanoate 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: 97.0%

toluene-4-sulfonamide (70-55-3) + acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3) → N-[(4-methylphenyl)sulfonyl]-β-alanine methyl ester (62456-75-1)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In acetonitrile; at 20 ℃; for 14h;

DOI:10.1016/j.tet.2006.11.037

Reference yield: 96.0%

1-(toluene-4-sulfonyl)-aziridine-2-carboxylic acid methyl ester (105424-75-7,141436-64-8,137595-25-6) → N-[(4-methylphenyl)sulfonyl]-β-alanine methyl ester (62456-75-1)

Guidance literature:

With methanol; magnesium; at -23 ℃; for 2h;

DOI:10.1021/jo9806963

Reference yield: 89.0%

methanol (67-56-1) + 3-{[(4-methylphenyl)sulfonyl]amino}propanoic acid (42908-33-8) → N-[(4-methylphenyl)sulfonyl]-β-alanine methyl ester (62456-75-1)

Guidance literature:

With sulfuric acid; Reflux;

DOI:10.1021/acs.orglett.9b00005

upstream raw materials:

diazomethane

3-{[(4-methylphenyl)sulfonyl]amino}propanoic acid

1-(toluene-4-sulfonyl)-aziridine-2-carboxylic acid methyl ester

toluene-4-sulfonamide

Downstream raw materials:

N-(4-cyclopropyl-but-3-enyl)-4-methyl-N-(3-oxo-propyl)-benzenesulfonamide

acrylic acid 4-[1-(toluene-4-sulfonyl)-2,3,6,7-tetrahydro-1H-azepin-4-yl]-but-3-enyl ester

toluene-4-sulfonic acid 4-[1-(toluene-4-sulfonyl)-2,3,6,7-tetrahydro-1H-azepin-4-yl]-but-3-enyl ester

methyl 3-(N-(2-iodocyclopent-2-enyl)-N-tosylamino)propanoate

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