3-(Methylthio)benzaldehyde

Base Information

• Chemical Name: 3-(Methylthio)benzaldehyde
• CAS No.: 73771-35-4
• Molecular Formula: C8H8OS
• Molecular Weight: 152.217
• Hs Code.: 2930909899
• European Community (EC) Number: 877-604-3
• DSSTox Substance ID: DTXSID00508051
• Nikkaji Number: J1.213.801F
• Wikidata: Q82364739
• Mol file: 73771-35-4.mol

Synonyms:3-(Methylthio)benzaldehyde;73771-35-4;3-methylsulfanylbenzaldehyde;3-(methylsulfanyl)benzaldehyde;Benzaldehyde, 3-(methylthio)-;3-methylsulfanyl-benzaldehyde;SCHEMBL711416;DTXSID00508051;XJNCVVVHUWTVCB-UHFFFAOYSA-N;MFCD09864229;AKOS006281446;BS-24559;CS-0195571;E90285;EN300-194498;Z1198235179

Chemical Property of 3-(Methylthio)benzaldehyde

Chemical Property:

• Vapor Pressure: 0.018mmHg at 25°C
• Boiling Point: 90 °C(Press: 0.4 Torr)
• Density: 1.13±0.1 g/cm3(Predicted)
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 152.02958605
• Heavy Atom Count: 10
• Complexity: 114

Purity/Quality:

98% ^*data from raw suppliers

3-(methylthio)benzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=CC=CC(=C1)C=O

Technology Process of 3-(Methylthio)benzaldehyde

There total 15 articles about 3-(Methylthio)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: 77.0%

2-(3-(methylthio)phenyl)-1,3-dioxolane (201851-07-2) → 3-(methylsulfanyl)benzaldehyde (73771-35-4)

Guidance literature:

With hydrogenchloride; In acetonitrile; Ambient temperature;

DOI:10.1021/jm970498o

Reference yield: 75.0%

3-methylthiobenzaldehyde diethylacetal → 3-(methylsulfanyl)benzaldehyde (73771-35-4)

Guidance literature:

With sulfuric acid; In water; for 0.75h; Heating;

Reference yield: 55.0%

3-mercapto benzoic acid (4869-59-4) + methyl iodide (74-88-4) → 3-(methylsulfanyl)benzaldehyde (73771-35-4)

Guidance literature:

3-mercapto benzoic acid; methyl iodide; With 2,6-dichloro-benzonitrile; In methanol; at 25 ℃;

With dimethylsulfide borane complex; In tetrahydrofuran; Heating;

With pyridinium chlorochromate; In dichloromethane; Heating;

DOI:10.1016/S0040-4039(03)01270-X

upstream raw materials:

(3-methylsulfanyl-phenyl)-methanol

3-bromo-1-(methylthio)benzene

orthoformic acid triethyl ester

2-(3-(methylthio)phenyl)-1,3-dioxolane

Downstream raw materials:

2-Nitro-1-(3-methylmercapto-phenyl)-propen-⁽¹⁾

3-thiophenecarboxaldehyde

N-(3-methylthiobenzyl)allylamine

N-(3-methylthiobenzyl)aminoacetaldehyde dimethyl acetal