Dimexano

Base Information

• Chemical Name: Dimexano
• CAS No.: 1468-37-7
• Deprecated CAS: 11096-23-4
• Molecular Formula: C4H6 O2 S4
• Molecular Weight: 214.354
• European Community (EC) Number: 215-993-8
• UNII: XEU4PMA835
• DSSTox Substance ID: DTXSID4057978
• Nikkaji Number: J8.656H
• Wikidata: Q22807432
• Mol file: 1468-37-7.mol

Synonyms:Dimexano;Dimexan;1468-37-7;Tri-Pe;Dimexano [ISO];Dimethyl dixanthogen;Dimethyl xanthic disulfide;Tridex;Dimethylxanthogen disulfide;Caswell No. 364A;Di(thionocarbomethoxy) disulfide;Di(methoxythiocarbonyl) disulfide;O,O-Dimethyl dithiobis(thioformate);Bis(methylxanthogen) disulfide;O-methyl (methoxycarbothioyldisulfanyl)methanethioate;EINECS 215-993-8;UNII-XEU4PMA835;EPA Pesticide Chemical Code 364200;BRN 1775248;XEU4PMA835;Thioperoxydicarbonic acid, dimethyl ester;FORMIC ACID, DITHIOBIS(THIO-, O,O-DIMETHYL ESTER;Formic acid, dithiobis[thio-, O,O-dimethyl ester;Thioperoxydicarbonic acid ([(HO)C(S)]2S2), dimethyl ester;Thioperoxydicarbonic acid ([(HO)C(S)]2S2), O,O'-dimethyl ester;Thioperoxydicarbonic acid (((HO)C(S))2S2), dimethyl ester;Dimethyl xanthogen;SCHEMBL135543;di(methoxythiocarbonyl)disulfide;C4H6O2S4;DTXSID4057978;CHEBI:82239;Bis(methoxythiocarbonyl) disulphide;NCGC00160460-01;Dithiobis(thioformic acid O-methyl) ester;LS-69688;C19118;Q22807432;THIOPEROXYDICARBONIC ACID (((HO)C(S))(SUB 2)S(SUB 2)) DIMETHYL ESTER

Chemical Property of Dimexano

Chemical Property:

• Melting Point: 23°C
• Refractive Index: 1.5341 (estimate)
• Boiling Point: 28.7°C
• PSA: 133.24000
• Density: 1.463 (estimate)
• LogP: 2.23040
• Storage Temp.: Refrigerator, under inert atmosphere
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• Water Solubility.: 24.65mg/L(25 oC)
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 213.92506412
• Heavy Atom Count: 10
• Complexity: 119

Purity/Quality:

98%min ^*data from raw suppliers

Dimexano ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,N
• Hazard Codes: Xn,N
• Statements: 22-50/53
• Safety Statements: 60-61

MSDS Files:

Useful:

• Canonical SMILES: COC(=S)SSC(=S)OC
• Uses: Dimexano has been used as desiccant of plants and in the stereoselective synthesis of alpha alkylidenation gamma butyrolactone.

Technology Process of Dimexano

There total 22 articles about Dimexano 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: 50.0%

sodium methyl xanthate (6370-03-2) → dimexano (1468-37-7)

Guidance literature:

With N-Bromosuccinimide; In acetonitrile; at 20 ℃; for 0.166667h;

DOI:10.1021/ja502996h

Reference yield: 41.0%

bistrisulfane (25170-09-6) + chloro(chlorosulfanyl)methanone (2757-23-5) → dimexano (1468-37-7) + (chlorocarbonyl)disulfane (89264-58-4)

Guidance literature:

In chloroform; at 25 ℃; for 0.5h; Yield given;

DOI:10.1021/jo00360a039

Reference yield:

Essigsaeuremethoxy(dithioameisensaeure)anhydrid (79598-16-6) + N-methylaniline (100-61-8) → dimexano (1468-37-7) + N-acetyl-N-methylaniline (579-10-2) + methoxy(thiocarbonyl) N-methyl-N-phenylamino sulfide (89264-59-5)

Guidance literature:

With sulfuryl dichloride; Yield given. Multistep reaction. Yields of byproduct given; 1) CHCl₃, 5 deg C, 30 min; 2) CHCl₃, 5 deg C;

DOI:10.1021/jo00292a018

upstream raw materials:

methanol

carbon disulfide

methylthiol

Essigsaeuremethoxy(dithioameisensaeure)anhydrid

Downstream raw materials:

3-[1-Cyclohexyl-meth-(Z)-ylidene]-dihydro-furan-2-one

(3E)-3-(cyclohexylmethylidene)oxolan-2-one

bistrisulfane

O-methyl N-methyl-N-phenylcarbamothioate

Refernces

• 1、 Schroll, Alayne L.,Eastep, Steven J.,Barany, George. "Synthesis and Characterization of (Methoxy(thiocarbonyl))sulfenyl Chloride". . p. 1475 - 1479. Retrieved 2007/10/02.
• 2、 Schroll, Alayne L.,Barany, George. "Novel Symmetrical and Mixed Carbamoyl and Amino Polysulfanes by Reactions of (Alkoxydichloromethyl)polysulfanyl Substrates with N-Methylaniline". . p. 1866 - 1881. Retrieved 2007/10/02.