2-[(3,4-Dichlorobenzyl)sulfanyl]-1-methyl-1H-imidazole-5-carbaldehyde

Base Information

• Chemical Name: 2-[(3,4-Dichlorobenzyl)sulfanyl]-1-methyl-1H-imidazole-5-carbaldehyde
• CAS No.: 924869-11-4
• Molecular Formula: C₁₂H₁₀Cl₂N₂OS
• Molecular Weight: 301.196
• Hs Code.: 2933299090
• DSSTox Substance ID: DTXSID101143133
• Mol file: 924869-11-4.mol

Synonyms:2-[(3,4-Dichlorobenzyl)sulfanyl]-1-methyl-1H-imidazole-5-carbaldehyde;924869-11-4;2-[(3,4-dichlorophenyl)methylsulfanyl]-3-methylimidazole-4-carbaldehyde;DTXSID101143133;MFCD08689685;AKOS005072499;EA-0740;2-[[(3,4-Dichlorophenyl)methyl]thio]-1-methyl-1H-imidazole-5-carboxaldehyde;2-{[(3,4-dichlorophenyl)methyl]sulfanyl}-1-methyl-1H-imidazole-5-carbaldehyde

Chemical Property of 2-[(3,4-Dichlorobenzyl)sulfanyl]-1-methyl-1H-imidazole-5-carbaldehyde

Chemical Property:

• Melting Point: 95-97°C
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 299.9890895
• Heavy Atom Count: 18
• Complexity: 295

Purity/Quality:

98%min ^*data from raw suppliers

2-[(3,4-Dichlorobenzyl)thio]-1-methyl-1H-imidazole-5-carboxaldehyde ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

Useful:

• Canonical SMILES: CN1C(=CN=C1SCC2=CC(=C(C=C2)Cl)Cl)C=O

Technology Process of 2-[(3,4-Dichlorobenzyl)sulfanyl]-1-methyl-1H-imidazole-5-carbaldehyde

There total 2 articles about 2-[(3,4-Dichlorobenzyl)sulfanyl]-1-methyl-1H-imidazole-5-carbaldehyde 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: 95.0%

(2-((3,4-dichlorobenzyl)thio)-1-methyl-1H-imidazol-5-yl)methanol → 2-((3,4-dichlorobenzyl)thio)-1-methyl-1H-imidazole-5-carbaldehyde (924869-11-4)

Guidance literature:

With manganese(IV) oxide; In chloroform; at 20 ℃;

DOI:10.2174/1573406417666210929124944

Reference yield:

5-hydroxymethyl-2-mercapto-1-methyl-1H-imidazole (143122-18-3) → 2-((3,4-dichlorobenzyl)thio)-1-methyl-1H-imidazole-5-carbaldehyde (924869-11-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium hydroxide / methanol / 0.17 h

1.2: 20 °C

2.1: manganese(IV) oxide / chloroform / 20 °C

With manganese(IV) oxide; sodium hydroxide; In methanol; chloroform;

DOI:10.2174/1573406417666210929124944

upstream raw materials:

5-hydroxymethyl-2-mercapto-1-methyl-1H-imidazole

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