2-[(4-Methylphenyl)thio]benzaldehyde

Base Information

• Chemical Name: 2-[(4-Methylphenyl)thio]benzaldehyde
• CAS No.: 62351-50-2
• Molecular Formula: C14H12OS
• Molecular Weight: 228.315
• DSSTox Substance ID: DTXSID30484930
• Wikidata: Q82323710
• Mol file: 62351-50-2.mol

Synonyms:2-[(4-methylphenyl)thio]benzaldehyde;2-(4-Methylphenyl)sulfanylbenzaldehyde;62351-50-2;Benzaldehyde, 2-[(4-methylphenyl)thio]-;SCHEMBL6765841;DTXSID30484930;CGRJMMFIUBEQQO-UHFFFAOYSA-N;AKOS004119944;A1-04993

Chemical Property of 2-[(4-Methylphenyl)thio]benzaldehyde

Chemical Property:

• Melting Point: 53-53.5 °C
• Boiling Point: 349.6±25.0 °C(Predicted)
• PSA: 42.37000
• Density: 1.17±0.1 g/cm3(Predicted)
• LogP: 3.95870
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 228.06088618
• Heavy Atom Count: 16
• Complexity: 221

Purity/Quality:

2-(4-Methylphenyl)sulfanylbenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)SC2=CC=CC=C2C=O

Technology Process of 2-[(4-Methylphenyl)thio]benzaldehyde

There total 8 articles about 2-[(4-Methylphenyl)thio]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: 94.0%

2-chloro-benzaldehyde (89-98-5) + para-thiocresol (106-45-6) → o-formylphenyl (p-tolyl) sulfide (62351-50-2)

Guidance literature:

With sodium carbonate; In N,N-dimethyl-formamide; at 80 - 90 ℃; for 2h;

Reference yield: 89.0%

2-Fluorobenzaldehyde (446-52-6) + para-thiocresol (106-45-6) → o-formylphenyl (p-tolyl) sulfide (62351-50-2)

Guidance literature:

With potassium carbonate; In N,N-dimethyl acetamide; at 170 ℃; for 6h; Inert atmosphere;

DOI:10.1002/adsc.201300488

Reference yield: 85.0%

4-methylphenylboronic acid (5720-05-8) + 2-nitro-benzaldehyde (552-89-6) → o-formylphenyl (p-tolyl) sulfide (62351-50-2)

Guidance literature:

With sulfur; nickel(II) ferrite; sodium hydroxide; sodium t-butanolate; at 110 ℃; for 15h; Green chemistry;

DOI:10.1002/aoc.4409

upstream raw materials:

2-chloro-benzaldehyde

para-thiocresol

2-(4'-methylphenylsulfanyl)benzoic acid

4-hydroxythioanisole

Downstream raw materials:

2-(p-tolylsulfinyl)benzaldehyde

2-(2-(p-tolylthio)phenyl)benzo[d]thiazole

2-methyl-9H-thioxanthen-9-one