Benzenesulfonamide, 4-methyl-N-[(1S)-1-phenylpropyl]-

Base Information

• Chemical Name: Benzenesulfonamide, 4-methyl-N-[(1S)-1-phenylpropyl]-
• CAS No.: 66558-06-3
• Molecular Formula: C16H19NO2S
• Molecular Weight: 289.398
• DSSTox Substance ID: DTXSID70461008
• Nikkaji Number: J1.270.098I
• Wikidata: Q82285223

Synonyms:Benzenesulfonamide, 4-methyl-N-[(1S)-1-phenylpropyl]-;66558-06-3;4-methyl-N-[(1S)-1-phenylpropyl]benzenesulfonamide;DTXSID70461008

Chemical Property of Benzenesulfonamide, 4-methyl-N-[(1S)-1-phenylpropyl]-

Chemical Property:

• PSA: 54.55000
• LogP: 4.89630
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 289.11365002
• Heavy Atom Count: 20
• Complexity: 374

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C
• Isomeric SMILES: CC[C@@H](C1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C

Technology Process of Benzenesulfonamide, 4-methyl-N-[(1S)-1-phenylpropyl]-

There total 13 articles about Benzenesulfonamide, 4-methyl-N-[(1S)-1-phenylpropyl]- 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: 86.0%

4-methyl-N-[1-phenyl-propylidene]-benzenesulfonamide (942066-19-5) → N-[(1S)-1-phenylpropan-1-yl]-4-methylbenzenesulfonamide (66558-06-3)

Guidance literature:

With formic acid; C₆H₁₅N*C₃₁H₃₇ClN₂O₂RhS*ClH; triethylamine; In ethyl acetate; optical yield given as %ee; enantioselective reaction; Inert atmosphere;

DOI:10.1016/j.tetasy.2010.04.047

Reference yield: 55.0%

N-(benzylidene)-p-methylbenzenesulfonamide (51608-60-7) + diethylzinc (557-20-0) → 4-methyl-N-[(1R)-1-phenylpropyl]benzene-1-sulfonamide (93241-22-6) + N-[(1S)-1-phenylpropan-1-yl]-4-methylbenzenesulfonamide (66558-06-3)

Guidance literature:

With N,N,N,N,-tetramethylethylenediamine; PFAM₂; copper(II) bis(trifluoromethanesulfonate); In toluene; at -20 ℃; for 21h; Reagent/catalyst; enantioselective reaction; Inert atmosphere; Molecular sieve;

DOI:10.3906/kim-1410-29

Reference yield:

4-methyl-N-[1-phenyl-propylidene]-benzenesulfonamide (942066-19-5) → 4-methyl-N-[(1R)-1-phenylpropyl]benzene-1-sulfonamide (93241-22-6) + N-[(1S)-1-phenylpropan-1-yl]-4-methylbenzenesulfonamide (66558-06-3)

Guidance literature:

With hydrogen; (R)-Ru(OCOCH₃)2(binap); In tetrahydrofuran; at 40 ℃; for 96h; under 54300.5 Torr; Yield given. Yields of byproduct given;

DOI:10.1016/S0040-4039(96)01471-2

upstream raw materials:

4-Methyl-benzenesulfinic acid ((S)-1-phenyl-propyl)-amide

4-methyl-N-[1-phenyl-propylidene]-benzenesulfonamide

diethylzinc

phenyl N-tosyl imine

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