2-{[(4-Chlorophenyl)sulfonyl]amino}-2-phenylacetic acid

Base Information

• Chemical Name: 2-{[(4-Chlorophenyl)sulfonyl]amino}-2-phenylacetic acid
• CAS No.: 117309-47-4
• Molecular Formula: C14H12 Cl N O4 S
• Molecular Weight: 325.77
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID00377527,DTXSID301215817
• Mol file: 117309-47-4.mol

Synonyms:117309-47-4;2-{[(4-chlorophenyl)sulfonyl]amino}-2-phenylacetic acid;2-(4-Chlorophenylsulfonamido)-2-phenylacetic acid;251096-79-4;2-(4-chlorobenzenesulfonamido)-2-phenylacetic acid;2-[(4-chlorophenyl)sulfonylamino]-2-phenylacetic acid;2-([(4-CHLOROPHENYL)SULFONYL]AMINO)-2-PHENYLACETIC ACID;{[(4-chlorophenyl)sulfonyl]amino}(phenyl)acetic acid;4-chlorobenzenesulfonamido(phenyl)acetic acid;Oprea1_135176;Oprea1_401310;DTXSID00377527;DTXSID301215817;BKA09679;BBL028320;MFCD00172800;STL257872;AKOS000599969;AKOS016047488;10G-322S;BB 0219402;CS-0258924;FT-0642868;EN300-717743;Benzene, 1-chloro-4-(2,2,2-triethoxyethyl)-;2-(4-chlorobenzenesulfonamido)-2-phenylaceticacid;J-505962;[(4-Chlorobenzene-1-sulfonyl)amino](phenyl)acetic acid;alpha-[[(4-Chlorophenyl)sulfonyl]amino]benzeneacetic acid;2-{[(4-Chlorophenyl)sulfonyl]amino}-2-phenylacetic acid (Bes(4-Cl)-DL-Phg-OH)

Chemical Property of 2-{[(4-Chlorophenyl)sulfonyl]amino}-2-phenylacetic acid

Chemical Property:

• Vapor Pressure: 1.81E-11mmHg at 25°C
• Melting Point: 175-177°C
• Boiling Point: 515.9°Cat760mmHg
• Flash Point: 265.8°C
• PSA: 91.85000
• Density: 1.45g/cm³
• LogP: 3.91590
• Storage Temp.: 2-8°C
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 325.0175567
• Heavy Atom Count: 21
• Complexity: 448

Purity/Quality:

98%min ^*data from raw suppliers

2-([(4-Chlorophenyl)sulfonyl]amino)-2-phenylaceticacid 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-{[(4-Chlorophenyl)sulfonyl]amino}-2-phenylacetic acid

There total 1 articles about 2-{[(4-Chlorophenyl)sulfonyl]amino}-2-phenylacetic 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: 42.0%

(S)-2-phenylglycine (2935-35-5) + 4-chlorobenzenesulfonyl chloride (98-60-2) → 2-((4-chlorophenyl)sulfonamido)-2-phenylacetic acid (117309-47-4,251096-79-4)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; water; at 70 - 80 ℃; for 0.5h;

DOI:10.1021/jm00121a027

Reference yield: 32.0%

2-((4-chlorophenyl)sulfonamido)-2-phenylacetic acid (117309-47-4,251096-79-4) → 1,4-bis((4-chlorophenyl)sulfonyl)-3,6-diphenylpiperazine-2,5-dione

Guidance literature:

In ethylene glycol; at 120 - 150 ℃;

DOI:10.1016/j.ejmech.2018.02.078

Reference yield:

2-((4-chlorophenyl)sulfonamido)-2-phenylacetic acid (117309-47-4,251096-79-4) → 4-Chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide (635291-25-7)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran;

DOI:10.1016/j.bmcl.2008.05.064

upstream raw materials:

(S)-2-phenylglycine

4-chlorobenzenesulfonyl chloride

Downstream raw materials:

4-Chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide