4-Ethylsulfonylbenzaldehyde

Base Information

• Chemical Name: 4-Ethylsulfonylbenzaldehyde
• CAS No.: 50899-03-1
• Molecular Formula: C9H10O3S
• Molecular Weight: 198.243
• Hs Code.: 2913000090
• DSSTox Substance ID: DTXSID20528751
• Wikidata: Q82398607
• Mol file: 50899-03-1.mol

Synonyms:4-Ethylsulfonylbenzaldehyde;4-(ethylsulfonyl)benzaldehyde;50899-03-1;4-(ethanesulfonyl)benzaldehyde;4-(ethylsulphonyl)benzaldehyde;MFCD09264545;Benzaldehyde, 4-(ethylsulfonyl)-;SCHEMBL2264989;DTXSID20528751;ZAYJHTQPWWNPHO-UHFFFAOYSA-N;AKOS006221390;DS-18685;SY239347;CS-0061668;F20042;A913555

Chemical Property of 4-Ethylsulfonylbenzaldehyde

Chemical Property:

• Melting Point: 108～110℃
• PSA: 59.59000
• LogP: 2.37350
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 198.03506535
• Heavy Atom Count: 13
• Complexity: 255

Purity/Quality:

97% ^*data from raw suppliers

4-(Ethylsulfonyl)benzaldehyde 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCS(=O)(=O)C1=CC=C(C=C1)C=O

Technology Process of 4-Ethylsulfonylbenzaldehyde

There total 10 articles about 4-Ethylsulfonylbenzaldehyde 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: 94.0%

sodium ethanesulfinate (20035-08-9) + 4-fluorobenzaldehyde (459-57-4) → 4-(ethanesulfonyl)benzaldehyde (50899-03-1)

Guidance literature:

In dimethyl sulfoxide; at 95 ℃; for 12h; Autoclave; Large scale;

Reference yield: 74.0%

4-(ethylthio)benzaldehyde (84211-94-9) → 4-(ethanesulfonyl)benzaldehyde (50899-03-1)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 0 ℃;

Reference yield: 43.0%

sodium ethanesulfinate (20035-08-9) + p-(iodophenyl)carboxaldehyde (15164-44-0) → 4-(ethanesulfonyl)benzaldehyde (50899-03-1)

Guidance literature:

With tetrakis(actonitrile)copper(I) hexafluorophosphate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; In dimethyl sulfoxide; for 16h; Inert atmosphere; Irradiation; Schlenk technique; Heating;

DOI:10.1021/acs.orglett.1c01050

upstream raw materials:

4-(ethylthio)benzaldehyde

4-ethanesulfonyl-benzoyl chloride

1-ethanesulfonyl-4-diacetoxymethyl-benzene

1-(bromomethyl)-4-(ethylsulfonyl)benzene

Downstream raw materials:

1-(4-ethanesulfonyl-benzylidenamino)-imidazolidine-2,4-dione

isonicotinic acid-(4-ethanesulfonyl-benzylidenehydrazide)

quinoline-2-carboxylic acid-(4-ethanesulfonyl-benzylidenehydrazide)

4-ethanesulfonyl-benzaldehyde-(4-isobutyl thiosemicarbazone)