tert-Butyl sulfide

Base Information

• Chemical Name: tert-Butyl sulfide
• CAS No.: 107-47-1
• Deprecated CAS: 1079059-42-9
• Molecular Formula: C8H18S
• Molecular Weight: 146.297
• European Community (EC) Number: 203-493-2
• NSC Number: 4549
• UNII: U27L6HX2MW
• DSSTox Substance ID: DTXSID5021887
• Nikkaji Number: J114.114G
• Wikidata: Q63409482
• Mol file: 107-47-1.mol

Synonyms:tert-Butyl sulfide;107-47-1;Di-tert-butyl sulfide;Di-tert-butyl sulphide;Propane, 2,2'-thiobis[2-methyl-;2-tert-butylsulfanyl-2-methylpropane;2,2,4,4-Tetramethyl-3-thiapentane;t-Butyl sulfide;NSC 4549;Propane, 2,2'-thiobis(2-methyl-;di-tert-butylsulfane;2-(tert-Butylsulfanyl)-2-methylpropane;2,2'-thiobis(2-methylpropane);EINECS 203-493-2;NSC-4549;tert-butylsulfide;di-t-butyl sulfide;t-butyl thioether;di-tert-butylsulfid;di-tertiary-butyl sulfide;(tert-C4H9)2S;U27L6HX2MW;SCHEMBL400906;Propane,2'-thiobis[2-methyl-;SCHEMBL4354407;DTXSID5021887;NSC4549;2,2'-Thiobis(2-methyl-propane);2,4,4-Tetramethyl-3-thiapentane;TERT.-BUTYL SULFIDE 98%;MFCD00008839;AKOS025294049;LS-184866;B0807;FT-0625362;D88695;A937076;Q63409482

Chemical Property of tert-Butyl sulfide

Chemical Property:

• Appearance/Colour: CLEAR COLOURLESS LIQUID
• Vapor Pressure: 5.22mmHg at 25°C
• Melting Point: -11℃
• Refractive Index: 1.451
• Boiling Point: 149 °C at 760 mmHg
• Flash Point: 26.7 °C
• PSA: 25.30000
• Density: 0.837 g/cm³
• LogP: 3.31660
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 146.11292175
• Heavy Atom Count: 9
• Complexity: 69.7

Purity/Quality:

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

tert-Butyl Sulfide >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R10:Flammable.
• Hazard Codes: R10:Flammable.
• Statements: 10
• Safety Statements: 16

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Sulfur Compounds
• Canonical SMILES: CC(C)(C)SC(C)(C)C

Technology Process of tert-Butyl sulfide

There total 22 articles about tert-Butyl 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: 92.0%

di-tert-butyl sulfoxide (2211-92-9) → sulfure de di tert-butyle (107-47-1)

Guidance literature:

With silica bromide; In dichloromethane; at 20 ℃; for 0.166667h; Inert atmosphere;

DOI:10.1080/17415993.2013.801478

Reference yield: 87.0%

2-methylpropan-2-thiol (75-66-1) + tert-butyl alcohol (75-65-0) → sulfure de di tert-butyle (107-47-1)

Guidance literature:

DOI:10.1016/S0008-6215(00)88051-9

Reference yield:

isobutene (115-11-7,15220-85-6) → sulfure de di tert-butyle (107-47-1) + 2-methylpropan-2-thiol (75-66-1)

Guidance literature:

With hydrogen sulfide; sulfur; at 100 - 150 ℃; for 3.5h; under 2250.23 Torr; Overall yield = 1214.9 g; Inert atmosphere; Autoclave;

upstream raw materials:

2-methylpropan-2-thiol

isobutene

tert-butyl alcohol

di-tert-butyl sulfoxide

Downstream raw materials:

2-methylpropan-2-thiol

di-tert-butyl disulfide

t-butyl sulfone

di-tert-butyl sulfoxide

Refernces

• 1、 Bochmann, Manfred,Hawkins, Ian,Wilson, Ladislav M.. "Thermal Deposition of TiS Films from Volatile Ti(SBut)4". . p. 344 - 345. Retrieved 1988.
• 2、 Aparicio, F. J. Lopez,Benitez, F. Zorrilla,Gonzales, F. Santoyo. "SYNTHESIS AND STRUCTURES OF SOME DIGLYCOLALDEHYDE THIOACETALS". . p. 69 - 82. Retrieved 1982.
• 3、 Mohanazadeh, Farajollah,Momeni, Ahmad Reza,Ranjbar, Yousef. "Deoxygenation of sulfoxides with silica chloride". . p. 6127 - 6128. Retrieved 1994.
• 4、 Cain,M.E. et al.. "-". . p. 1694 - 1699. Retrieved 1962.
• 5、 Brokken-Zijp,Bogaert. "". . p. 4169,4172. Retrieved 1973.
• 6、 Ipatieff, V. N.,Friedman, B. S.. "". . p. 71 - 74. Retrieved 1939.
• 7、 Mohanazadeh, Farajollah,Veisi, Hojat,Sedrpoushan, Alireza,Zolfigol, Mohammad Ali,Golmohammad, Fereshteh,Hemmati, Saba,Hashemi, Majid. "A very useful and mild method for the deoxygenation of sulfoxide to sulfide with silica bromide as heterogeneous promoter". . p. 7 - 13. Retrieved 2014/01/06.
• 8、 Nicolaou,Koumbis, Alexandros E.,Snyder, Scott A.,Simonsen, Klaus B.. "Novel reactions initiated by titanocene methylidenes: Deoxygenation of sulfoxides, N-oxides, and selenoxides". . p. X2529-2533. Retrieved 2007/10/03.