2-(4-Aminobenzenesulfonylamino)-3-phenyl-propionic acid

Base Information

• Chemical Name: 2-(4-Aminobenzenesulfonylamino)-3-phenyl-propionic acid
• CAS No.: 133978-59-3
• Molecular Formula: C15H15N2O4S
• Molecular Weight: 320.369
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID30389375
• ChEMBL ID: CHEMBL1372427
• Mol file: 133978-59-3.mol

Synonyms:133978-59-3;2-(4-aminobenzenesulfonylamino)-3-phenyl-propionic acid;2-(4-Amino-benzenesulfonylamino)-3-phenyl-propionic acid;2-[(4-aminophenyl)sulfonylamino]-3-phenylpropanoic acid;N-(4-Aminobenzene-1-sulfonyl)phenylalanine;2-(4-Aminophenylsulfonamido)-3-phenylpropanoic acid;L-Phenylalanine,N-[(4-aminophenyl)sulfonyl]-;Oprea1_670705;Oprea1_856562;MLS001203440;CHEMBL1372427;DTXSID30389375;HMS2826N20;STK053976;AKOS000301424;AKOS021989736;((4-Aminophenyl)sulfonyl)phenylalanine;N-[(4-aminophenyl)sulfonyl]phenylalanine;1638102-72-3;SMR000514757;CS-0336942;EU-0038075;FT-0643210;2-(4-Aminophenylsulfonamido)-3-phenylpropanoicacid;2-(4-aminophenylsulfonylamino)-3-phenylpropanoic acid

Chemical Property of 2-(4-Aminobenzenesulfonylamino)-3-phenyl-propionic acid

Chemical Property:

• Vapor Pressure: 8.75E-14mmHg at 25°C
• Boiling Point: 569 °C at 760 mmHg
• Flash Point: 297.9 °C
• PSA: 117.87000
• LogP: 3.29590
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 320.08307817
• Heavy Atom Count: 22
• Complexity: 460

Purity/Quality:

99% ^*data from raw suppliers

2-(4-Aminophenylsulfonamido)-3-phenylpropanoicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)N

Technology Process of 2-(4-Aminobenzenesulfonylamino)-3-phenyl-propionic acid

There total 4 articles about 2-(4-Aminobenzenesulfonylamino)-3-phenyl-propionic acid 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: 78.0%

2-(4-Nitrophenylsulphonamido)-3-phenylpropanoic acid (64501-87-7) → 2-{[(4-aminophenyl)sulfonyl]amino}-3-phenylpropanoic acid (133978-59-3)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethanol; at 20 ℃; for 18h; under 3102.97 Torr;

DOI:10.1039/c4ob01516a

Reference yield:

4-Nitrobenzenesulfonyl chloride (98-74-8) → 2-{[(4-aminophenyl)sulfonyl]amino}-3-phenylpropanoic acid (133978-59-3)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydroxide / water

2: palladium 10% on activated carbon; hydrogen / ethanol / 18 h / 20 °C / 3102.97 Torr

With palladium 10% on activated carbon; hydrogen; sodium hydroxide; In ethanol; water;

DOI:10.1039/c4ob01516a

Reference yield:

Phenylalanine (150-30-1,25191-15-5,658-69-5,67675-33-6) → 2-{[(4-aminophenyl)sulfonyl]amino}-3-phenylpropanoic acid (133978-59-3)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydroxide / water

2: palladium 10% on activated carbon; hydrogen / ethanol / 18 h / 20 °C / 3102.97 Torr

With palladium 10% on activated carbon; hydrogen; sodium hydroxide; In ethanol; water;

DOI:10.1039/c4ob01516a

upstream raw materials:

4-Nitrobenzenesulfonyl chloride

Phenylalanine

2-(4-Nitrophenylsulphonamido)-3-phenylpropanoic acid

Refernces