2-(Methylthio)naphthalene

Base Information

• Chemical Name: 2-(Methylthio)naphthalene
• CAS No.: 7433-79-6
• Molecular Formula: C11H10S
• Molecular Weight: 174.266
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID90225341
• Nikkaji Number: J265.573J
• Wikidata: Q83104286
• Mol file: 7433-79-6.mol

Synonyms:2-(methylthio)naphthalene;7433-79-6;2-Methylmercaptonaphthalene;Methyl(naphthalen-2-yl)sulfane;2-methylsulfanylnaphthalene;2-(methylsulfanyl)naphthalene;2-Methylthionaphthalene;methyl2-naphthylsulfide;methyl 2-naphthyl sulfide;naphth-2-yl methyl thioether;Naphthalene,2-(methylthio)-;SCHEMBL3387487;DTXSID90225341;SSKUUDUKJMIOKQ-UHFFFAOYSA-N;MFCD00051615;AKOS006229744;CS-0368258;FT-0608863;E87000;AB-131/42000802

Chemical Property of 2-(Methylthio)naphthalene

Chemical Property:

• Vapor Pressure: 0.00164mmHg at 25°C
• Melting Point: 62-63°C
• Refractive Index: 1.658
• Boiling Point: 303.7 °C at 760 mmHg
• Flash Point: 133 °C
• PSA: 25.30000
• Density: 1.12 g/cm³
• LogP: 3.56170
• Water Solubility.: Slightly soluble in water
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 174.05032149
• Heavy Atom Count: 12
• Complexity: 144

Purity/Quality:

99% ^*data from raw suppliers

2-(METHYLTHIO)NAPHTHALENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi,N
• Hazard Codes: Xn,Xi,N
• Safety Statements: S22:Do not inhale dust.; S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=CC2=CC=CC=C2C=C1
• Uses: 2-(Methylthio)naphthalene is used to produce 1-chloro-2-methylsulfanylnaphthalene. This reaction will need reagent CuCl2-Al2O3, and the menstruum benzene

Technology Process of 2-(Methylthio)naphthalene

There total 7 articles about 2-(Methylthio)naphthalene 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: 98.0%

methanol (67-56-1) + potassium 2-naphthalenethiolate (89781-11-3) → Methyl formate (107-31-3) + 2-methylthionaphthalene (7433-79-6)

Guidance literature:

With carbon monoxide; at 150 ℃; for 16h; under 75006 Torr;

Reference yield: 84.0%

C10H7N2(1+)*C6H4NO4S2(1-) + sodium thiomethoxide (5188-07-8) → Dimethyldisulphide (624-92-0) + 2-methylthionaphthalene (7433-79-6) + sodium o-benzenedisulfonimide

Guidance literature:

In methanol; at 0 - 5 ℃;

DOI:10.1021/jo0003347

Reference yield: 51.0%

2-methanesulfinylnaphthalene (35330-76-8) → 2-methylthionaphthalene (7433-79-6) + (R)-2-naphthyl methyl sulfoxide (35330-76-8,101541-53-1,114129-50-9,18690-03-4)

Guidance literature:

With DL-dithiothreitol; methionine sulfoxide reductase A from Pseudomonas alcaliphila; In aq. phosphate buffer; at 30 ℃; for 4h; pH=8; enantioselective reaction; Resolution of racemate; Enzymatic reaction;

DOI:10.1039/c9ob00384c

upstream raw materials:

methanol

potassium 2-naphthalenethiolate

sodium thiomethoxide

2-bromonaphthalene

Downstream raw materials:

2-methanesulfinylnaphthalene

2-methylthio-1-naphthaldehyde

naphtho[2,1-b]thiophen-1-ol

2-(methylsulfonyl)naphthalene

Refernces

• 1、 Isshiki, Ryota,Kurosawa, Miki B.,Muto, Kei,Yamaguchi, Junichiro. "Ni-Catalyzed Aryl Sulfide Synthesis through an Aryl Exchange Reaction". supporting information. p. 10333 - 10340. Retrieved 2021/07/21.
• 2、 Argueello, Juan E.,Schmidt, Luciana C.,Penenory, Alicia B.. " One-Pot Two-Step Synthesis of Aryl Sulfur Compounds by Photoinduced Reactions of Thiourea Anion with Aryl Halides". . p. 4133 - 4136. Retrieved 2007/10/03.