n-Benzylmethanesulfonamide

Base Information

• Chemical Name: n-Benzylmethanesulfonamide
• CAS No.: 3989-45-5
• Molecular Formula: C8H11NO2S
• Molecular Weight: 185.247
• European Community (EC) Number: 817-159-4
• NSC Number: 36910
• DSSTox Substance ID: DTXSID20284360
• Nikkaji Number: J1.025.448E
• Wikidata: Q82019278
• ChEMBL ID: CHEMBL1945332
• Mol file: 3989-45-5.mol

Synonyms:n-benzylmethanesulfonamide;3989-45-5;NSC36910;Maybridge1_001741;ChemDiv2_000126;N-benzyl methanesulfonamide;Methanesulfonamide, N-benzyl-;SCHEMBL423037;CHEMBL1945332;HMS546H03;DTXSID20284360;HMS1369F16;MFCD00117816;NSC 36910;NSC-36910;STL382117;AKOS000431114;Methanesulfonamide, N-(phenylmethyl)-;CCG-104984;CS-0250654;FT-0736995;EN300-51783;7N-015;SR-01000410276;SR-01000410276-1;Z53825161

Chemical Property of n-Benzylmethanesulfonamide

Chemical Property:

• Vapor Pressure: 0.00039mmHg at 25°C
• Melting Point: 59.4 °C
• Boiling Point: 317.2°C at 760 mmHg
• PKA: 11.31±0.40(Predicted)
• Flash Point: 145.7°C
• PSA: 54.55000
• Density: 1.217g/cm³
• LogP: 2.20750
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 185.05104977
• Heavy Atom Count: 12
• Complexity: 212

Purity/Quality:

95% ^*data from raw suppliers

N-benzylmethanesulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)NCC1=CC=CC=C1

Technology Process of n-Benzylmethanesulfonamide

There total 28 articles about n-Benzylmethanesulfonamide 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: 100.0%

methanesulfonyl chloride (124-63-0) + benzylamine (100-46-9) → N-benzylmethanesulfonamide (3989-45-5)

Guidance literature:

With triethylamine; In tetrahydrofuran;

DOI:10.1016/j.tetlet.2006.04.038

Reference yield: 100.0%

N-methanesulfonyl benzylideneamine (73845-05-3,108440-09-1,14674-34-1) → N-benzylmethanesulfonamide (3989-45-5)

Guidance literature:

With Schwartz's reagent; In dichloromethane; at 20 ℃; for 0.333333h; chemoselective reaction; Inert atmosphere; Schlenk technique;

DOI:10.1002/ejoc.201901607

Reference yield: 98.0%

methanesulfonamide (3144-09-0) + benzyl alcohol (100-51-6,185532-71-2) → N-benzylmethanesulfonamide (3989-45-5)

Guidance literature:

With Ru/Fe₃O₄; potassium carbonate; at 150 ℃; for 12h; Inert atmosphere;

upstream raw materials:

methanesulfonyl chloride

benzylamine

C₁₀H₁₅N₃

N-benzyl-N-chloromethanesulfonamide

Downstream raw materials:

(N-benzyl)-methylenesulfonamide-2 dihydro-1,2 quinoxaline

(N-benzyl)-isothiazolo <3,4-b> hexahydro-1,3,3a,4,9,9a quinoxaline dioxyde-2,2

3-benzyltetrahydro-1,4,3-oxathiazine 4,4-dioxide

N-Mesyl-2-nitrodibenzylamin

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