Tert-butyl propyl sulfide

Base Information

• Chemical Name: Tert-butyl propyl sulfide
• CAS No.: 926-40-9
• Molecular Formula: C7H16S
• Molecular Weight: 132.27
• NSC Number: 99112
• DSSTox Substance ID: DTXSID80294985
• Nikkaji Number: J463.674K
• Wikidata: Q82034634
• Mol file: 926-40-9.mol

Synonyms:926-40-9;NSC 99112;tert-butyl propyl sulfide;t-BUTYL PROPYL SULFIDE;2-methyl-2-(propylsulfanyl)propane;NSC99112;tert-Butylpropyl sulfide;t-Butyl n-propyl sulfide;SCHEMBL1704306;(1,1-dimethylethyl)propylsulfide;DTXSID80294985;NSC-99112;AKOS006242925

Chemical Property of Tert-butyl propyl sulfide

Chemical Property:

• Vapor Pressure: 6.09mmHg at 25°C
• Boiling Point: 145.6°Cat760mmHg
• Flash Point: 26.2°C
• Density: 0.836g/cm³
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 132.09727168
• Heavy Atom Count: 8
• Complexity: 51.9

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCSC(C)(C)C

Technology Process of Tert-butyl propyl sulfide

There total 16 articles about Tert-butyl propyl 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: 47.0%

3-iodopropyl tert-butyl thioether (111349-70-3) + methacrylic acid methyl ester (80-62-6,114512-63-9,143476-91-9,25188-98-1,9011-14-7) → 2-methyl-2-propylsulfanyl-propane (926-40-9) + methyl 6-tert-butylthio-2-methylhexanoate (185011-18-1)

Guidance literature:

With sodium tetrahydroborate; 2,2'-azobis(isobutyronitrile); tributyltin chloride; In ethanol; for 12h; Ambient temperature;

Reference yield: 40.0%

3-iodopropyl tert-butyl thioether (111349-70-3) → 2-methyl-2-propylsulfanyl-propane (926-40-9) + methyl 6-tert-butylthio-2-methylhexanoate (185011-18-1)

Guidance literature:

With sodium tetrahydroborate; 2,2'-azobis(isobutyronitrile); tributyltin chloride; methacrylic acid methyl ester; In ethanol; for 12h; Ambient temperature;

Reference yield: 37.0%

3-iodopropyl tert-butyl thioether (111349-70-3) + acrylonitrile (107-13-1,25014-41-9) → 2-methyl-2-propylsulfanyl-propane (926-40-9) + 6-tert-butylthiohexanenitrile

Guidance literature:

With sodium tetrahydroborate; 2,2'-azobis(isobutyronitrile); tributyltin chloride; In ethanol; for 12h; Ambient temperature;

upstream raw materials:

allyl tert-butyl sulfide

t-Butyl-propenyl-sulfid

propyl bromide

2-methylpropan-2-thiol

Downstream raw materials:

S-t-butyl-S-propyl-N-tosylsulfilimine