2-Methyl-5-(methylthio)furan

Base Information

• Chemical Name: 2-Methyl-5-(methylthio)furan
• CAS No.: 13678-59-6
• Molecular Formula: C6H8 O S
• Molecular Weight: 128.195
• Hs Code.: 2932190090
• European Community (EC) Number: 237-170-2
• UNII: 41Z7B950JJ
• DSSTox Substance ID: DTXSID9065578
• Nikkaji Number: J100.367D
• Wikidata: Q27161473
• Metabolomics Workbench ID: 49423
• Mol file: 13678-59-6.mol

Synonyms:2-Methyl-5-(methylthio)furan;13678-59-6;5-Methyl-2-(methylthio)furan;Furan, 2-methyl-5-(methylthio)-;2-methyl-5-methylsulfanylfuran;Methyl 5-methylfuryl sulfide;2-methyl 5-(methyl thio) furan;2-Methyl-5-methylthiofuran;2-Methyl-5-(methylsulfanyl)furan;FEMA No. 3366;UNII-41Z7B950JJ;41Z7B950JJ;EINECS 237-170-2;SCHEMBL2964186;2-methyl-5-(methylthio)-furan;DTXSID9065578;CHEBI:89286;FEMA 3366;2-Methyl-5-(methylmercapto)furan;2-Methyl-5-(methylsulfanyl)furan #;MFCD01208018;2-Methyl-5-(methylthio)furan, 9CI;AKOS006229767;AS-77231;2-Methyl-5-(methylthio)furan, AldrichCPR;2-METHYL-5-METHYLTHIOFURAN [FHFI];Q27161473

Chemical Property of 2-Methyl-5-(methylthio)furan

Chemical Property:

• Appearance/Colour: COA
• Vapor Pressure: 2.85mmHg at 25°C
• Refractive Index: 1.528
• Boiling Point: 162.3°Cat760mmHg
• Flash Point: 52°C
• PSA: 38.44000
• Density: 1.08g/cm³
• LogP: 2.30990
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 128.02958605
• Heavy Atom Count: 8
• Complexity: 74.9

Purity/Quality:

98%min ^*data from raw suppliers

5-METHYL-2-(METHYLTHIO)FURAN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 10-22
• Safety Statements: 16

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(O1)SC
• Description: 2-Methyl-5-(methylthio)furan has a very strong sulfurated odor. May be prepared from 2-methylfuran with CH3SCl; from 2-methylfuran with an organolithium compound.

Technology Process of 2-Methyl-5-(methylthio)furan

There total 3 articles about 2-Methyl-5-(methylthio)furan 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: 82.0%

methyl 2-(5-methylfuryl) sulfoxide (116394-76-4) → methyl 5-methyl-2-furyl sulfide (13678-59-6)

Guidance literature:

With tris(pentafluorophenyl)borate; phenylsilane; In toluene; at 60 ℃; for 8h; Inert atmosphere; Schlenk technique; Green chemistry;

DOI:10.1002/ejoc.201700489

Reference yield: 56.0%

2-methylfuran (534-22-5) + Dimethyldisulphide (624-92-0) → methyl 5-methyl-2-furyl sulfide (13678-59-6)

Guidance literature:

With n-butyllithium; In diethyl ether; hexane;

Reference yield:

2-(methylsulfanyl)-furan (13129-38-9) + Dimethyldisulphide (624-92-0) → methyl 5-methyl-2-furyl sulfide (13678-59-6)

Guidance literature:

With n-butyllithium; In diethyl ether; hexane; at -78 ℃; for 0.5h;

upstream raw materials:

2-methylfuran

Dimethyldisulphide

2-(methylsulfanyl)-furan

methyl 2-(5-methylfuryl) sulfoxide

Downstream raw materials:

2-methyl-5-(methylthio)benzoic acid

(E)-4-Oxo-pent-2-enethioic acid S-methyl ester

(Z)-4-Oxo-pent-2-enethioic acid S-methyl ester

Refernces

• 1、 Ding, Fangwei,Jiang, Yanqiu,Gan, Shaoyan,Bao, Robert Li-Yuan,Lin, Kaifeng,Shi, Lei. "B(C6F5)3-Catalyzed Deoxygenation of Sulfoxides and Amine N-Oxides with Hydrosilanes". . p. 3427 - 3430. Retrieved 2017/07/04.
• 2、 Wu, Hsien-Jen,Huang, Fang-Jung,Lin, Chu-Chung. "Novel Heterocyclic Cage Compounds from 2-Methylthiofurans". . p. 770 - 771. Retrieved 2007/10/02.