Cyclohexene sulfide

Base Information

• Chemical Name: Cyclohexene sulfide
• CAS No.: 286-28-2
• Molecular Formula: C6H10 S
• Molecular Weight: 114.211
• Hs Code.: 29309099
• European Community (EC) Number: 206-008-2
• NSC Number: 59716
• DSSTox Substance ID: DTXSID00951265
• Nikkaji Number: J125.144I
• Mol file: 286-28-2.mol

Synonyms:Cyclohexene sulfide;286-28-2;7-Thiabicyclo[4.1.0]heptane;1,2-Epithiocyclohexane;1,2-Cyclohexylene sulfide;Cyclohexene episulfide;Cyclohexene, sulfide;Cyclohexane, 1,2-epithio-;CYCLOHEXENESULFIDE;7-Thiabicyclo(4.1.0)heptane;EINECS 206-008-2;NSC 59716;Cyclohexane,2-epithio-;SCHEMBL862038;DTXSID00951265;NSC59716;BBL103268;GEO-00868;MFCD00005163;NSC-59716;STL557078;AKOS005254555;Cyclohexene sulfide, 85%, technical grade;FT-0624201;EN300-6729795;J-017162

Chemical Property of Cyclohexene sulfide

Chemical Property:

• Appearance/Colour: opalescent yellow liquid
• Vapor Pressure: 2.42mmHg at 25°C
• Refractive Index: n20/D 1.527(lit.)
• Boiling Point: 165.8°Cat760mmHg
• Flash Point: 50°C
• PSA: 25.30000
• Density: 1.09g/cm³
• LogP: 2.04440
• Storage Temp.: 0-6°C
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 114.05032149
• Heavy Atom Count: 7
• Complexity: 70.2

Purity/Quality:

98%,99%, ^*data from raw suppliers

Cyclohexene sulfide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R10:Flammable.
• Hazard Codes: R10:Flammable.
• Statements: 10
• Safety Statements: 16-27-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CCC2C(C1)S2

Technology Process of Cyclohexene sulfide

There total 43 articles about Cyclohexene sulfide 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: 99.0%

cyclohexane-1,2-epoxide (286-20-4) → cyclohexene sulfide (286-28-2)

Guidance literature:

With ammonium thiocyanate; bismuth(lll) trifluoromethanesulfonate; In acetonitrile; for 0.25h; Heating;

DOI:10.3390/61200996

Reference yield: 98.0%

1,3-dimethylimidazolidine-2-thione (13461-16-0) + cyclohexane-1,2-epoxide (286-20-4) → cyclohexene sulfide (286-28-2) + 1,3-dimethyl-2-imidazolidinone (80-73-9)

Guidance literature:

silica gel; In dichloromethane; at 0 ℃; for 40h;

DOI:10.1002/hlca.200590261

Reference yield: 93.0%

trans-2-iodo-1-thiocyanatocyclohexane (60211-88-3,86332-98-1,89942-97-2) → cyclohexene sulfide (286-28-2)

Guidance literature:

With lithium triethylborohydride; In tetrahydrofuran; for 2h; Ambient temperature;

upstream raw materials:

1-methyl-4-nitrosobenzene

(+/-)-trans-hexahydro-benz[1,3]oxathiol-2-one-imine; hydrochloride

2-chloro-cyclohexyl thiocyanate

trans-2-hydroxycyclohexyl thiocyanate

Downstream raw materials:

n-butanethiol

cyclohexene

(+/-)-trans-1-chloro-2-methyldisulfanyl-cyclohexane

(+/-)-acetyl-(trans-2-chloro-cyclohexyl)-disulfane

Refernces

• 1、 Kaboudin, Babak,Norouzi, Hamid. "A new, efficient, and simple method for the synthesis of thiiranes from epoxides under solvent-free conditions". . p. 1283 - 1285. Retrieved 2004.
• 2、 Eisavi, Ronak,Naseri, Kazhal. "Preparation, characterization and application of MgFe2O4/Cu nanocomposite as a new magnetic catalyst for one-pot regioselective synthesis of β-thiol-1,4-disubstituted-1,2,3-triazoles". . p. 13061 - 13076. Retrieved 2021/04/22.
• 3、 Hassanzadeh, Shadi,Eisavi, Ronak,Abbasian, Mojtaba. "Green synthesis of thiiranes from epoxides catalyzed by magnetically separable CuFe2O4/Mg(OH)2 nanocomposite in water under benign conditions". . p. 240 - 255. Retrieved 2019/01/30.