1-[(4-Methylphenyl)sulfonyl]-1H-imidazole-2-carboxaldehyde

Base Information

• Chemical Name: 1-[(4-Methylphenyl)sulfonyl]-1H-imidazole-2-carboxaldehyde
• CAS No.: 155742-57-7
• Molecular Formula: C11H10N2O3S
• Molecular Weight: 250.278
• DSSTox Substance ID: DTXSID301191619
• Mol file: 155742-57-7.mol

Synonyms:1-[(4-Methylphenyl)sulfonyl]-1H-imidazole-2-carboxaldehyde;155742-57-7;SCHEMBL1580921;BLFLXIVNUOHJEJ-UHFFFAOYSA-N;DTXSID301191619;1-tosyl-1h-imidazole-2-carbaldehyde;DA-21078;1-(toluene-4-sulfonyl)-1H-imidazole-2-carbaldehyde

Chemical Property of 1-[(4-Methylphenyl)sulfonyl]-1H-imidazole-2-carboxaldehyde

Chemical Property:

• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 250.04121336
• Heavy Atom Count: 17
• Complexity: 369

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C=CN=C2C=O

Technology Process of 1-[(4-Methylphenyl)sulfonyl]-1H-imidazole-2-carboxaldehyde

There total 2 articles about 1-[(4-Methylphenyl)sulfonyl]-1H-imidazole-2-carboxaldehyde 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: 96.0%

p-toluenesulfonyl chloride (98-59-9) + 2-imidazolecarbaldehyde (10111-08-7) → 1-tosyl-1H-imidazole-2-carbaldehyde (155742-57-7)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 20 ℃; for 24h; Inert atmosphere; Schlenk technique;

DOI:10.1002/adsc.202000909

Reference yield: 58.0%

p-toluenesulfonyl chloride (98-59-9) + 2-imidazolecarbaldehyde (10111-08-7) → 1'(1H-imidazol-2-ylmethyl)-3,3-dimethyl-1',2'3',4',5',6'-hexahydro-[2,2';6',2]terpyridine + 1-tosyl-1H-imidazole-2-carbaldehyde (155742-57-7)

Guidance literature:

With triethylamine; In methanol; dichloromethane;

Reference yield: 76.0%

methyl (triphenylphosphoranylidene)acetate (21204-67-1,2605-67-6) + 1-tosyl-1H-imidazole-2-carbaldehyde (155742-57-7) → methyl 3-(1-tosyl-1H-imidazol-2-yl)acrylate

Guidance literature:

In tetrahydrofuran; at 75 ℃; for 18h;

upstream raw materials:

p-toluenesulfonyl chloride

2-imidazolecarbaldehyde

Downstream raw materials:

[1-(toluene-4-sulfonyl)-1H-imidazol-2-yl]-methanol

C₂₉H₂₉N₇O₄S

2-bromomethyl-1-(toluene-4-sulfonyl)-1H-imidazole

(6aR,9aS)-5,6a,7,8,9,9a-hexahydro-5-methyl-2-(phenylmethyl)-3-{[1-(tolylsulfonyl)imidazol-2-yl]methyl}cyclopent[4,5]imidazo[2,1-b]purin-4(3H)-one