sec-Butyl Sulfide

Base Information

• Chemical Name: sec-Butyl Sulfide
• CAS No.: 626-26-6
• Molecular Formula: C8H18 S
• Molecular Weight: 146.297
• European Community (EC) Number: 210-938-4
• DSSTox Substance ID: DTXSID00870720
• Nikkaji Number: J103.159G
• Mol file: 626-26-6.mol

Synonyms:sec-Butyl Sulfide;626-26-6;Di-sec-butyl sulfide;Di-sec-butylsulfide;2-butan-2-ylsulfanylbutane;Di-sec-butyl sulphide;Butane, 2,2'-thiobis-;EINECS 210-938-4;sec-butylsulfide;di-s-butyl sulfide;di-sec-butylsulfane;Di-sec-Butyl thioether;sec-Butyl sulfide, 98%;3,5-Dimethyl-4-thiaheptane;SCHEMBL775152;2-(butan-2-ylsulfanyl)butane;2-(Sec-butylsulfanyl)butane #;DTXSID00870720;MFCD00009332;AKOS025213107;GS-5678;B6136;FT-0632636;F11357

Chemical Property of sec-Butyl Sulfide

Chemical Property:

• Vapor Pressure: 2.51mmHg at 25°C
• Melting Point: -62.18°C (estimate)
• Refractive Index: n20/D 1.45(lit.)
• Boiling Point: 165 °C(lit.)
• Flash Point: 103 °F
• PSA: 25.30000
• Density: 0.839 g/mL at 25 °C(lit.)
• LogP: 3.31660
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 146.11292175
• Heavy Atom Count: 9
• Complexity: 53.6

Purity/Quality:

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

Di-Sec-ButylSulfide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 10-36/37/38
• Safety Statements: 16-26-27-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC(C)SC(C)CC
• Uses: sec-Butyl sulfide was used in the determination of dialkyl sulfides using novel micropacked column prepared from the slurry of bis[1,2-bis(4-n-undecyloxyphenyl)ethane-1,2-dithiolene]nickel(II) coated on chromosorb W by micropacked gas chromatography.

Technology Process of sec-Butyl Sulfide

There total 13 articles about sec-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: 98.0%

1-methyl-1-propanethiol (513-53-1,91840-99-2) + 1-chloro-2-fluorobenzene (348-51-6) → 2-fluorophenyl 1-methylpropyl sulfide + sec-butyl sulfide (626-26-6)

Guidance literature:

With sodium t-butanolate; palladium diacetate; CyPF-t-Bu; In 1,2-dimethoxyethane; at 110 ℃; Title compound not separated from byproducts;

DOI:10.1002/chem.200600949

Reference yield: 88.0%

di-sec-butyl sulfoxide (13153-06-5) → sec-butyl sulfide (626-26-6)

Guidance literature:

With propene; dimethylboron bromide; In dichloromethane; 1.) 30 min, -23 deg C, 2.) 10 min, 0 deg C;

DOI:10.1021/jo00197a043

Reference yield: 86.0%

s-butyl bromide (78-76-2,5787-31-5) + thiourea (17356-08-0) → sec-butyl sulfide (626-26-6)

Guidance literature:

With tetrachloromethane; water; triethylamine; In glycerol; at 50 ℃; for 24h;

DOI:10.1007/s13738-015-0610-3

upstream raw materials:

tetrachloromethane

1-methyl-1-propanethiol

2-butyl iodide

s-butyl bromide

Downstream raw materials:

di-sec-butyl sulfoxide

4-methylphenyl methylsulfide

4-chlorophenyl methyl sulfide

toluene-4-sulfonamide

Refernces

• 1、 Fernandez-Rodriguez, Manuel A.,Shen, Qilong,Hartwig, John F.. "Highly efficient and functional-group-tolerant catalysts for the palladium-catalyzed coupling of aryl chlorides with thiols". . p. 7782 - 7796. Retrieved 2007/10/03.
• 2、 Dzhemilev, U. M.,Kunakova, R. V.,Fomenko, V. V.,Khalilov, L. M.,Yapparova, R. Z.,Galkin, E. G.. "ACTIVATION OF CS2 IN REACTION WITH BUTADIENE CATALYZED BY PALLADIUM COMPLEXES". . p. 347 - 350. Retrieved 2007/10/02.