N-[Phenyl-(toluene-4-sulfonyl)methyl]formamide

Base Information

• Chemical Name: N-[Phenyl-(toluene-4-sulfonyl)methyl]formamide
• CAS No.: 37643-54-2
• Molecular Formula: C15H15NO3S
• Molecular Weight: 289.355
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID50459569
• Nikkaji Number: J781.789D
• Mol file: 37643-54-2.mol

Synonyms:N-[Phenyl-(toluene-4-sulfonyl)methyl]formamide;37643-54-2;N-[(4-methylphenyl)sulfonyl-phenylmethyl]formamide;SCHEMBL989351;N-(alpha-Tosylbenzyl)formamide;DTXSID50459569;N-[(4-Methylbenzene-1-sulfonyl)(phenyl)methyl]formamide;N-[(4-METHYLBENZENESULFONYL)(PHENYL)METHYL]FORMAMIDE

Chemical Property of N-[Phenyl-(toluene-4-sulfonyl)methyl]formamide

Chemical Property:

• Melting Point: 144.9-145.2 °C
• Boiling Point: 566.8±50.0 °C(Predicted)
• PKA: 13.15±0.23(Predicted)
• PSA: 75.11000
• Density: 1.249±0.06 g/cm3(Predicted)
• LogP: 4.13460
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 289.07726451
• Heavy Atom Count: 20
• Complexity: 401

Purity/Quality:

98% ^*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)C(C2=CC=CC=C2)NC=O

Technology Process of N-[Phenyl-(toluene-4-sulfonyl)methyl]formamide

There total 4 articles about N-[Phenyl-(toluene-4-sulfonyl)methyl]formamide 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: 99.0%

p-toluene sulfinic acid (536-57-2) + benzaldehyde (100-52-7) + formamide (77287-34-4,77287-35-5,60100-09-6) → N-[(4-methylbenzene-1-sulfonyl)(phenyl)methyl]formamide (37643-54-2)

Guidance literature:

benzaldehyde; formamide; With chloro-trimethyl-silane; In toluene; acetonitrile; at 55 ℃; for 3h; Inert atmosphere; Schlenk technique;

p-toluene sulfinic acid; In toluene; acetonitrile; Inert atmosphere; Schlenk technique;

DOI:10.1002/chem.201804099

Reference yield: 98.0%

benzaldehyde (100-52-7) + toluene-4-sulfonic acid (104-15-4) + formamide (77287-34-4,77287-35-5,60100-09-6) → N-[(4-methylbenzene-1-sulfonyl)(phenyl)methyl]formamide (37643-54-2)

Guidance literature:

benzaldehyde; formamide; With chloro-trimethyl-silane; In toluene; acetonitrile; at 50 ℃; for 5h;

toluene-4-sulfonic acid; at 50 ℃; for 4h;

DOI:10.1002/adsc.201200140

Reference yield:

benzaldehyde (100-52-7) + formamide (77287-34-4,77287-35-5,60100-09-6) + sodium 4-methylbenzenesulfinate (824-79-3) → N-[(4-methylbenzene-1-sulfonyl)(phenyl)methyl]formamide (37643-54-2)

Guidance literature:

With formic acid;

DOI:10.1021/jo00427a012

upstream raw materials:

benzaldehyde

formamide

sodium 4-methylbenzenesulfinate

p-toluene sulfinic acid

Downstream raw materials:

α-tosylbenzyl isocyanide

(S)-N-(1-phenylpropyl)formamide

(R)-N-(1-phenylpropyl)formamide

3-formylamino-3-phenyl-propionic acid ethyl ester