1-BENZYL-2-(METHYLSULFANYL)-1H-IMIDAZOLE-5-CARBALDEHYDE

Base Information

• Chemical Name: 1-BENZYL-2-(METHYLSULFANYL)-1H-IMIDAZOLE-5-CARBALDEHYDE
• CAS No.: 479400-30-1
• Molecular Formula: C12H12N2OS
• Molecular Weight: 232.306
• Mol file: 479400-30-1.mol

Synonyms:1-BENZYL-2-(METHYLSULFANYL)-1H-IMIDAZOLE-5-CARBALDEHYDE;AKOS BB-8928

Chemical Property of 1-BENZYL-2-(METHYLSULFANYL)-1H-IMIDAZOLE-5-CARBALDEHYDE

Chemical Property:

• Vapor Pressure: 3.72E-08mmHg at 25°C
• Melting Point: 86 °C
• Refractive Index: 1.616
• Boiling Point: 446.2°Cat760mmHg
• PKA: 2.44±0.34(Predicted)
• Flash Point: 223.7°C
• PSA: 60.19000
• Density: 1.19g/cm³
• LogP: 2.46580

Purity/Quality:

98%min ^*data from raw suppliers

1-BENZYL-2-(METHYLSULFANYL)-1H-IMIDAZOLE-5-CARBALDEHYDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1-BENZYL-2-(METHYLSULFANYL)-1H-IMIDAZOLE-5-CARBALDEHYDE

There total 5 articles about 1-BENZYL-2-(METHYLSULFANYL)-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: 92.5%

5-hydroxymethyl-2-methylthio-1-phenylmethylimidazole (338414-90-7) → 1-benzyl-2-(methylsulfanyl)imidazole-5-carbaldehyde (479400-30-1)

Guidance literature:

With manganese(IV) oxide; In chloroform; Heating;

DOI:10.1002/jhet.5570390434

Reference yield:

1-benzyl-2-mercapto-5-hydroxymethyl-imidazole (98412-23-8) → 1-benzyl-2-(methylsulfanyl)imidazole-5-carbaldehyde (479400-30-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 78 percent / NaOH / methanol; H₂O / 20 °C

2: 92.5 percent / MnO₂ / CHCl₃ / Heating

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

DOI:10.1002/jhet.5570390434

Reference yield:

benzylamine hydrochloride (3287-99-8,39110-74-2,108321-65-9) → 1-benzyl-2-(methylsulfanyl)imidazole-5-carbaldehyde (479400-30-1)

Guidance literature:

Multi-step reaction with 3 steps

1.1: 89 percent / acetic acid; butan-1-ol / 70 h

2.1: aq. NaOH / methanol / 0.17 h / 20 °C

2.2: 75 percent / methanol / 20 °C

3.1: 80 percent / MnO₂ / CHCl₃ / Heating

With manganese(IV) oxide; sodium hydroxide; In methanol; chloroform; acetic acid; butan-1-ol;

upstream raw materials:

5-hydroxymethyl-2-methylthio-1-phenylmethylimidazole

benzylamine hydrochloride

5-hydroxymethyl-1-phenylmethylimidazoline-2(3H)-thione

1-benzyl-2-mercapto-5-hydroxymethyl-imidazole

Downstream raw materials:

diethyl 1,4-dihydro-2,6,-dimethyl-4-(1-phenylmethyl-2-methylthio-5-imidazolyl)pyridine-3,5-dicarboxylate

dimethyl 1,4-dihydro-2,6,-dimethyl-4-(1-phenylmethyl-2-methylthio-5-imidazolyl)pyridine-3,5-dicarboxylate

1-benzyl-2-(methylsulfanyl)imidazole-5-carboxylic acid

1-benzyl-2-methylsulfanylimidazole-5-carbonyl chloride