2-Methylthio-1,4-naphthoquinone

Base Information

• Chemical Name: 2-Methylthio-1,4-naphthoquinone
• CAS No.: 26037-60-5
• Molecular Formula: C₁₁H₈O₂S
• Molecular Weight: 204.249
• NSC Number: 67209
• DSSTox Substance ID: DTXSID60876662
• Nikkaji Number: J520.286H
• Wikidata: Q82858326
• ChEMBL ID: CHEMBL2335531
• Mol file: 26037-60-5.mol

Synonyms:2-methylthio-1,4-naphthoquinone

Chemical Property of 2-Methylthio-1,4-naphthoquinone

Chemical Property:

• Vapor Pressure: 4.7E-05mmHg at 25°C
• Boiling Point: 349.5°Cat760mmHg
• Flash Point: 157.3°C
• PSA: 59.44000
• Density: 1.32g/cm³
• LogP: 2.31250
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 204.02450067
• Heavy Atom Count: 14
• Complexity: 306

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=CC(=O)C2=CC=CC=C2C1=O

Technology Process of 2-Methylthio-1,4-naphthoquinone

There total 9 articles about 2-Methylthio-1,4-naphthoquinone 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%

dimethyl sulfoxide (67-68-5,8070-53-9) + 3,4-dihydronaphthalene-1(2H)-one (529-34-0) → 2-Methylmercapto-[1,4]naphthochinon (26037-60-5)

Guidance literature:

With iodine; at 80 ℃; for 12h; Temperature; Inert atmosphere;

Reference yield: 77.0%

1,4-Dihydroxynaphthalene (571-60-8) + dimethyl sulfoxide (67-68-5,8070-53-9) → 2-Methylmercapto-[1,4]naphthochinon (26037-60-5)

Guidance literature:

With iodine; at 100 ℃; for 48h; Green chemistry;

DOI:10.1021/ol5004093

Reference yield: 70.0%

1-hydroxy-2-(methylthio)naphthalene (90033-53-7) → 2-Methylmercapto-[1,4]naphthochinon (26037-60-5)

Guidance literature:

With potassiuim nitrosodisulfonate; In methanol; water; for 1h;

DOI:10.1021/jo00257a027

upstream raw materials:

methylthiol

[1,4]naphthoquinone

1-hydroxy-2-(methylthio)naphthalene

α-naphthol

Downstream raw materials:

2,3-bis-methylsulfanyl-[1,4]naphthoquinone