N-(3-formylphenyl)methanesulfonamide

Base Information

• Chemical Name: N-(3-formylphenyl)methanesulfonamide
• CAS No.: 55512-05-5
• Molecular Formula: C8H9NO3S
• Molecular Weight: 199.23
• Hs Code.: 2935009090
• European Community (EC) Number: 689-406-2
• DSSTox Substance ID: DTXSID10383412
• Nikkaji Number: J2.401.682J
• Wikidata: Q82175107
• Mol file: 55512-05-5.mol

Synonyms:N-(3-formylphenyl)methanesulfonamide;55512-05-5;3-(Methylsulfonamido)benzaldehyde;Methanesulfonamide, N-(3-formylphenyl)-;N-(3-Formylphenyl)methanesulphonamide;MFCD03198179;SCHEMBL243260;DTXSID10383412;CBDSSTWZEANOCR-UHFFFAOYSA-N;3-(Methylsulfonylamino)benzaldehyde;BBL002157;STK149420;n-(3-formylphenyl) methanesulfonamide;AKOS003296781;AC-3010;N-(3-formyl-phenyl)-methanesulfonamide;PS-3709;SY003551;CS-0150124;FT-0727475;EN300-66984;N-(3-formylphenyl)methanesulfonamide, AldrichCPR;Z1065768476

Chemical Property of N-(3-formylphenyl)methanesulfonamide

Chemical Property:

• Vapor Pressure: 4.99E-05mmHg at 25°C
• Melting Point: 146 °C
• Refractive Index: 1.605
• Boiling Point: 348.6 °C at 760 mmHg
• PKA: 7.59±0.10(Predicted)
• Flash Point: 164.6 °C
• PSA: 71.62000
• Density: 1.407 g/cm³
• LogP: 2.02440
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 199.03031432
• Heavy Atom Count: 13
• Complexity: 268

Purity/Quality:

98%min ^*data from raw suppliers

N-(3-Formylphenyl)methanesulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,Xn
• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)NC1=CC=CC(=C1)C=O

Technology Process of N-(3-formylphenyl)methanesulfonamide

There total 5 articles about N-(3-formylphenyl)methanesulfonamide 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: 97.0%

N-(3-hydroxymethylphenyl)methanesulfonamide (376347-09-0) → m-(methylsulfonylamino)benzaldehyde (55512-05-5)

Guidance literature:

With pyridinium chlorochromate; In dichloromethane; at 20 ℃; for 1h;

Reference yield: 42.0%

methanesulfonyl chloride (124-63-0) + m-aminobenzaldehyde (1709-44-0,29159-23-7) → m-(methylsulfonylamino)benzaldehyde (55512-05-5)

Guidance literature:

With pyridine; In dichloromethane; at 20 ℃;

Reference yield:

3-methanesulfonylaminobenzoic acid methyl ester (32087-05-1) → m-(methylsulfonylamino)benzaldehyde (55512-05-5)

Guidance literature:

Multi-step reaction with 2 steps

1: lithium aluminium tetrahydride / tetrahydrofuran / 24 h / 25 °C / Inert atmosphere

2: dipyridinium dichromate / dichloromethane / 1 h / 25 °C / Inert atmosphere

With lithium aluminium tetrahydride; dipyridinium dichromate; In tetrahydrofuran; dichloromethane;

DOI:10.1002/cmdc.201500235

upstream raw materials:

methanesulfonyl chloride

m-aminobenzaldehyde

N-(3-hydroxymethylphenyl)methanesulfonamide

Methyl 3-aminobenzoate

Refernces

• 1、 -. "SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF". Paragraph 0563-0565. . Retrieved 2013/08/28.
• 2、 -. "AN AGENT FOR PLASMINOGEN-ACTIVATION AND MATRIX METALLOPROTEINASE ASSOCIATED CONDITIONS AND METHODS OF USE". Page/Page column 36. . Retrieved 2010/02/11.