2-(Methylsulfonamido)benzaldehyde

Base Information

• Chemical Name: 2-(Methylsulfonamido)benzaldehyde
• CAS No.: 94532-99-7
• Molecular Formula: C8H9NO3S
• Molecular Weight: 199.23
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID90468872
• Nikkaji Number: J2.324.195A
• Wikidata: Q82296327
• Mol file: 94532-99-7.mol

Synonyms:2-(METHYLSULFONAMIDO)BENZALDEHYDE;94532-99-7;N-(2-formylphenyl)methanesulfonamide;2-Methanesulfonylaminobenzaldehyde;MFCD11052341;Methanesulfonamide, N-(2-formylphenyl)-;o-mesylaminobenzaldehyde;SCHEMBL3031668;DTXSID90468872;BHUPNWLTAGQULX-UHFFFAOYSA-N;AKOS006283691;CS-11035;SY003552;_x000D_2-(Methylsulfonamido)benzaldehyde;FT-0713603;EN300-318986;N-(2-Formylphenyl)methanesulfonamide, AldrichCPR

Chemical Property of 2-(Methylsulfonamido)benzaldehyde

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 350.192oC at 760 mmHg
• PKA: 7.75±0.10(Predicted)
• Flash Point: 165.59oC
• PSA: 71.62000
• Density: 1.407g/cm3
• LogP: 2.02440
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 0.9
• 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:

97% ^*data from raw suppliers

2-(Methylsulfonamide)benzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)NC1=CC=CC=C1C=O

Technology Process of 2-(Methylsulfonamido)benzaldehyde

There total 10 articles about 2-(Methylsulfonamido)benzaldehyde 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: 75.0%

N-(2-(hydroxymethyl)phenyl)methanesulfonamide (347839-76-3) → N-(2-formylphenyl)methanesulfonamide (94532-99-7)

Guidance literature:

With manganese(IV) oxide; In dichloromethane; at 20 ℃; for 48h; Inert atmosphere;

DOI:10.1002/chem.201904902

Reference yield: 55.0%

sodium methansulfinate (20277-69-4) + 2-nitro-benzaldehyde (552-89-6) → N-(2-formylphenyl)methanesulfonamide (94532-99-7)

Guidance literature:

With sodium hydrogensulfite; sodium 4-methylbenzenesulfinate; In water; at 60 ℃; for 24h;

DOI:10.1002/ejoc.201800504

Reference yield: 14.0%

2-mesylaminobenzoic acid mesylhydrazide (870073-76-0) → N-(2-formylphenyl)methanesulfonamide (94532-99-7)

Guidance literature:

With sodium carbonate; In ethylene glycol; at 155 - 165 ℃; for 0.5h;

DOI:10.1007/s11172-005-0111-0

upstream raw materials:

2-mesylaminobenzoic acid mesylhydrazide

N-(2-(hydroxymethyl)phenyl)methanesulfonamide

2-Aminobenzyl alcohol

anthranilic acid hydrazide

Downstream raw materials:

N-[2-(1-Hydroxy-4-methyl-5-pyridin-3-yl-1H-imidazol-2-yl)-phenyl]-methanesulfonamide

N-[2-(2-Amino-1-hydroxy-ethyl)-phenyl]-methanesulfonamide

1-(4-methoxybenzyl)-1H-benzo[c][1,2]thiazine 2,2-dioxide

1-(methylsulfonyl)-2-phenyl-1,2-dihydroquinoline