Isopropyl propyl disulfide

Base Information

• Chemical Name: Isopropyl propyl disulfide
• CAS No.: 33672-51-4
• Molecular Formula: C6H14S2
• Molecular Weight: 150.309
• Hs Code.: 2930909090
• European Community (EC) Number: 251-628-9
• DSSTox Substance ID: DTXSID10187351
• Nikkaji Number: J100.002K
• Wikidata: Q83059026
• Mol file: 33672-51-4.mol

Synonyms:Isopropyl propyl disulfide;Isopropyl propyl disulphide;Disulfide, isopropyl propyl;33672-51-4;Disulfide, 1-methylethyl propyl;EINECS 251-628-9;1-(propan-2-yldisulfanyl)propane;Disulfide,1-methylethyl propyl;Isopropylpropyl persulfide;Propyl isopropyl disulfide;2-isopropyldisulfanylpropane;2-methyl-3,4-dithiaheptane;1-(Isopropyldisulfanyl)propane;SCHEMBL2589138;DTXSID10187351;AKOS006328338

Chemical Property of Isopropyl propyl disulfide

Chemical Property:

• Vapor Pressure: 1mmHg at 25°C
• Melting Point: -77.24°C (estimate)
• Refractive Index: 1.499
• Boiling Point: 184.5 °C at 760 mmHg
• Flash Point: 56.9 °C
• PSA: 50.60000
• Density: 0.964 g/cm³
• LogP: 3.18620
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 150.05369279
• Heavy Atom Count: 8
• Complexity: 43.8

Purity/Quality:

99% ^*data from raw suppliers

ISOPROPYL PROPYL DISULPHIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCSSC(C)C

Technology Process of Isopropyl propyl disulfide

There total 2 articles about Isopropyl propyl disulfide 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:

1-thiopropane (107-03-9) + 2-propanethiol (75-33-2) → 2-isopropyldisulfanylpropane (33672-51-4) + diisopropyl sulfide (4253-89-8) + Dipropyl disulfide (629-19-6)

Guidance literature:

With nickel(IV) oxide;

Reference yield:

1-thiopropane (107-03-9) + 2-propanethiol (75-33-2) → 2-isopropyldisulfanylpropane (33672-51-4)

Guidance literature:

With sodium hydroxide; potassium hexacyanoferrate(III);

DOI:10.1021/jo01084a007

Reference yield: 18.0%

2-isopropyldisulfanylpropane (33672-51-4) + 4-bromo-3-methylbenzoic acid (7697-28-1) → 4-(isopropylthio)-3-methylbenzoic acid (1339587-81-3)

Guidance literature:

4-bromo-3-methylbenzoic acid; With n-butyllithium; In tetrahydrofuran; at -78 ℃; for 0.5h;

2-isopropyldisulfanylpropane; In tetrahydrofuran; at -78 - 20 ℃; for 1h;

upstream raw materials:

1-thiopropane

2-propanethiol

Downstream raw materials:

4-(isopropylthio)-3-methylbenzoic acid

Refernces