3-Methoxy-4-(methylthio)benzaldehyde

Base Information

• Chemical Name: 3-Methoxy-4-(methylthio)benzaldehyde
• CAS No.: 68885-46-1
• Molecular Formula: C9H10O2S
• Molecular Weight: 182.243
• Hs Code.: 2930909090
• European Community (EC) Number: 865-154-0
• DSSTox Substance ID: DTXSID90559370
• Nikkaji Number: J2.584.393B
• Wikidata: Q82442066
• Mol file: 68885-46-1.mol

Synonyms:68885-46-1;3-methoxy-4-(methylthio)benzaldehyde;3-METHOXY-4-METHYLSULFANYL-BENZALDEHYDE;3-methoxy-4-(methylsulfanyl)benzaldehyde;3-Methoxy-4-methylsulfanylbenzaldehyde;SCHEMBL9529019;DTXSID90559370;MFCD04973392;AKOS006230347;AB21299;CS-0252222;EN300-59453;A836279;Z906125142

Chemical Property of 3-Methoxy-4-(methylthio)benzaldehyde

Chemical Property:

• PSA: 51.60000
• LogP: 2.22960
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 182.04015073
• Heavy Atom Count: 12
• Complexity: 150

Purity/Quality:

98%min ^*data from raw suppliers

3-Methoxy-4-methylsulfanyl-benzaldehyde 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)C=O)SC

Technology Process of 3-Methoxy-4-(methylthio)benzaldehyde

There total 8 articles about 3-Methoxy-4-(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:

4-mercapto-3-methoxybenzaldehyde (96495-18-0) + methyl iodide (74-88-4) → 3-methoxy-4-(methylthio)benzaldehyde (68885-46-1)

Guidance literature:

In methanol; at 20 ℃; for 20h; Inert atmosphere;

DOI:10.1016/j.ejmech.2017.11.050

Reference yield:

vanillin (121-33-5,8014-42-4) → 3-methoxy-4-(methylthio)benzaldehyde (68885-46-1)

Guidance literature:

Multi-step reaction with 3 steps

1: 70 percent / aq. NaOH / tetrahydrofuran / 0.5 h

2: 80 percent / diphenyl ether / 1 h / Heating

3: 1.) ethanol, 12 h, reflux, 2.) ethanol, 8 h, 0 deg C

With sodium hydroxide; In tetrahydrofuran; diphenylether;

DOI:10.1021/jm00367a005

Reference yield:

3-methoxy-4-<(dimethylthiocarbamoyl)oxy>benzaldehyde (71140-25-5) → 3-methoxy-4-(methylthio)benzaldehyde (68885-46-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 80 percent / diphenyl ether / 1 h / Heating

2: 1.) ethanol, 12 h, reflux, 2.) ethanol, 8 h, 0 deg C

In diphenylether;

DOI:10.1021/jm00367a005

upstream raw materials:

S-(4-formyl-2-methoxyphenyl)-N,N-dimethylthiocarbamate

methyl iodide

Dimethyldisulphide

2-(3-methoxyphenyl)-1,3-dimethylimidazolidine

Downstream raw materials:

C₁₁H₁₂O₄S

C₂₆H₃₄N₄O₆S₄

4-(3-methoxy-4-(methylthio)benzylidene)-2-methyloxazol-5(4H)-one

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