N-{[4-(Benzyloxy)phenyl](methyl)-lambda4-sulfanylidene}-4-methylbenzenesulfonamide

Base Information

• Chemical Name: N-{[4-(Benzyloxy)phenyl](methyl)-lambda4-sulfanylidene}-4-methylbenzenesulfonamide
• CAS No.: 21306-65-0
• Molecular Formula: C₂₁H₂₁NO₃S₂
• Molecular Weight: 399.535
• DSSTox Substance ID: DTXSID50430555
• Pharos Ligand ID: JDFPGA9XKKPZ
• ChEMBL ID: CHEMBL1230119
• Mol file: 21306-65-0.mol

Synonyms:TPh A;21306-65-0;NPD-123;N-{[4-(Benzyloxy)phenyl](methyl)-lambda4-sulfanylidene}-4-methylbenzenesulfonamide;Triphenyl compound A;CHEMBL1230119;(NE)-4-methyl-N-[methyl-(4-phenylmethoxyphenyl)-lambda4-sulfanylidene]benzenesulfonamide;(E)-N-((4-(Benzyloxy)phenyl)(methyl)-l4-sulfanylidene)-4-methylbenzenesulfonamide;NPD123;NPD 123;TPh-A;SCHEMBL20588838;C21H21NO3S2;DTXSID50430555;HB4111;AKOS040757316;CCG-242581;HY-14454;MS-26775;CS-0003366;J-013979;

N-{[4-(Benzyloxy)phenyl](methyl)-?4-sulfanylidene}-4-methylbenzenesulfonamide

Chemical Property of N-{[4-(Benzyloxy)phenyl](methyl)-lambda4-sulfanylidene}-4-methylbenzenesulfonamide

Chemical Property:

• Boiling Point: 587.6±60.0 °C(Predicted)
• PSA: 83.32000
• Density: 1.22±0.1 g/cm3(Predicted)
• LogP: 6.48490
• Storage Temp.: 2-8°C
• Solubility.: DMSO: >30mg/mL
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 399.09628588
• Heavy Atom Count: 27
• Complexity: 577

Purity/Quality:

99% ^*data from raw suppliers

TPh A ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)N=S(C)C2=CC=C(C=C2)OCC3=CC=CC=C3
• Isomeric SMILES: CC1=CC=C(C=C1)S(=O)(=O)/N=S(\C)/C2=CC=C(C=C2)OCC3=CC=CC=C3
• Uses: Triphenyl Compound A is a pirin inhibitor.

Technology Process of N-{[4-(Benzyloxy)phenyl](methyl)-lambda4-sulfanylidene}-4-methylbenzenesulfonamide

There total 2 articles about N-{[4-(Benzyloxy)phenyl](methyl)-lambda4-sulfanylidene}-4-methylbenzenesulfonamide 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:

methyl (4-(phenoxymethyl)phenyl) sulfane (81499-30-1) + [N-(p-tolylsulfonyl)imino]phenyliodinane (55962-05-5) → N-{[4-(benzyloxy)phenyl](methyl)-λ4-sulfanylidene}-4-methylbenzenesulfonamide (21306-65-0)

Guidance literature:

With PPh₄[Co^III(TAML^red)]; In dichloromethane; at 25 ℃; for 0.5h; chemoselective reaction; Sealed tube;

DOI:10.1002/chem.202003566

Reference yield:

→ N-{[4-(benzyloxy)phenyl](methyl)-λ4-sulfanylidene}-4-methylbenzenesulfonamide (21306-65-0)

Guidance literature:

Methyl-(4-benzyloxy-phenyl)-sulfid, Chloramin-T;

upstream raw materials:

methyl (4-(phenoxymethyl)phenyl) sulfane

[N-(p-tolylsulfonyl)imino]phenyliodinane

Refernces