Methyl furfuryl disulfide

Base Information

• Chemical Name: Methyl furfuryl disulfide
• CAS No.: 57500-00-2
• Deprecated CAS: 60681-93-8
• Molecular Formula: C6H8OS2
• Molecular Weight: 160.261
• Hs Code.: 29321900
• European Community (EC) Number: 260-773-7
• UNII: 1V1X0TA603
• DSSTox Substance ID: DTXSID9069186
• Nikkaji Number: J267.370C
• Wikidata: Q18456602
• Metabolomics Workbench ID: 47513
• Mol file: 57500-00-2.mol

Synonyms:Methyl furfuryl disulfide;57500-00-2;Furfuryl methyl disulfide;2-((Methyldisulfanyl)methyl)furan;2-[(Methyldisulfanyl)methyl]furan;Furan, 2-[(methyldithio)methyl]-;Methyl 2-furylmethyl disulfide;2-((Methyldithio)methyl)furan;C6H8OS2;2-[(Methyldithio)methyl]furan;FEMA No. 3362;(2-Furanylmethyl) methyl disulfide;Furan, 2-((methyldithio)methyl)-;Furfuryl methyl disulphide;2-Furfuryl methyl disulfide;UNII-1V1X0TA603;1V1X0TA603;EINECS 260-773-7;2-[(methyldithio)methyl]-furan;2-((Methyldithio)methyl)-Furan;Furfurylmethyldisulfid;Furfurylmethyl persulfide;2-Furfurylmethyl-disulphide;2-Furfuryl methyl disulphide;SCHEMBL145300;2-(methyldisulfanylmethyl)furan;2-[(methyldisulanyl)methyl]uran;DTXSID9069186;FEMA 3362;CHEBI:169297;2-[(Methyldisulfanyl)methyl]furan #;MFCD00012326;AKOS015899706;CS-W016156;SB60966;METHYL FURFURYL DISULFIDE [FHFI];Methyl furfuryl disulfide, >=95%, FG;2-(Methyldithiomethyl)furan, 9CI, 8CI;BS-17104;F0561;FT-0628732;D90679;A831471;Q18456602

Chemical Property of Methyl furfuryl disulfide

Chemical Property:

• Appearance/Colour: Brown to dark brown liquid
• Vapor Pressure: 0.066mmHg at 25°C
• Refractive Index: n20/D 1.568
• Boiling Point: 238.3 °C at 760 mmHg
• Flash Point: 87 °C
• PSA: 63.74000
• Density: 1.205 g/cm³
• LogP: 2.79080
• Storage Temp.: Store below +30°C.
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 160.00165722
• Heavy Atom Count: 9
• Complexity: 77.5

Purity/Quality:

99% ^*data from raw suppliers

Furfuryl Methyl Disulfide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSSCC1=CC=CO1
• Description: Methyl furfuryl disulfide has a berry, fruity, vegetable odor.

Technology Process of Methyl furfuryl disulfide

There total 6 articles about Methyl furfuryl disulfide 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: 81.0%

Dimethyldisulphide (624-92-0) + 2-thiolomethyl-furan (98-02-2,175236-33-6) → methyl furfuryl disulfide (57500-00-2)

Guidance literature:

With Na-exchanged X type zeolite catalyst; In ethanol; at 10 ℃; for 20h;

DOI:10.1002/cctc.202101092

Reference yield: 63.0%

2-thiolomethyl-furan (98-02-2,175236-33-6) + 2-methylpropanedithioperoxy acid methyl ester (118087-46-0) → methyl furfuryl disulfide (57500-00-2)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In pentane; for 1h; Ambient temperature;

DOI:10.1055/s-1994-25563

Reference yield: 60.0%

furfuryl disulfide (4437-20-1) + Dimethyldisulphide (624-92-0) → methyl furfuryl disulfide (57500-00-2)

Guidance literature:

With N-fluorobis(benzenesulfon)imide; In 1,2-dichloro-ethane; at 80 ℃; for 4h; Schlenk technique; Sealed tube;

DOI:10.1016/j.cclet.2021.12.073

upstream raw materials:

2-thiolomethyl-furan

2-methylpropanedithioperoxy acid methyl ester

(2-furyl)methyl alcohol

methyl iodide

Downstream raw materials:

1,4-bis(methylmercapto)-2,3,5,6-tetrafluorobenzene

Refernces

• 1、 Yamamoto, Eiji,Kawai, Yasutaka,Takakura, Kei,Kimura, Moemi,Murayama, Haruno,Matsueda, Hironobu,Otsuki, Shujiro,Sakata, Hiroshi,Tokunaga, Makoto. "Convenient Unsymmetrical Disulfane Synthesis: Basic Zeolite-Catalyzed Thiol-Disulfane Exchange Reaction". . p. 4694 - 4699. Retrieved 2021/10/14.
• 2、 Leriverend,Metzner. "A new mild synthesis of unsymmetrical disulfides by reaction of dithioperoxyesters with thiols". . p. 761 - 762. Retrieved 2007/10/02.