1,2-Dithiolane, 3-propyl-

Base Information

• Chemical Name: 1,2-Dithiolane, 3-propyl-
• CAS No.: 70678-50-1
• Molecular Formula: C6H12 S2
• Molecular Weight: 148.293
• DSSTox Substance ID: DTXSID10990908
• Nikkaji Number: J2.349.555D

Synonyms:3-propyl-1,2-dithiolane;70678-50-1;1,2-Dithiolane, 3-propyl-;SCHEMBL593240;DTXSID10990908

Chemical Property of 1,2-Dithiolane, 3-propyl-

Chemical Property:

• Vapor Pressure: 0.433mmHg at 25°C
• Boiling Point: 201.6°Cat760mmHg
• Flash Point: 95.8°C
• Density: 1.046g/cm³
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 148.03804273
• Heavy Atom Count: 8
• Complexity: 63.5

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCC1CCSS1

Technology Process of 1,2-Dithiolane, 3-propyl-

There total 1 articles about 1,2-Dithiolane, 3-propyl- 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:

1,3-dibromo-hexane (51104-99-5) → (+/-)-3-n-Propyl-1,2-dithiolane (70678-50-1)

Guidance literature:

With sodium sulfide; sulfur; In N,N-dimethyl-formamide; 1.) 20 deg C, 3 days, 2.) 80-90 deg C, 24 h;

Reference yield:

(+/-)-3-n-Propyl-1,2-dithiolane (70678-50-1) → (+/-)-2-n-Propyltheitane (70678-49-8)

Guidance literature:

With hexaethylphosphoric triamide; In benzene; at 20 ℃; for 24h;

upstream raw materials:

1,3-dibromo-hexane

Downstream raw materials:

(+/-)-2-n-Propyltheitane

Refernces

THE 2-PROPYLTHIETANE, MAJOR MALODOROUS SUBSTANCE FROM THE ANAL GLAND OF THE STOAT (MUSTELA ERMINEA)

10.1016/S0040-4039(01)85858-5

The study investigates the major malodorous component from the anal gland secretion of the male stoat (Mustela erminea). Through gas chromatographic analysis of a diethyl ether extract of the viscous yellow fluid from the anal glands, four volatile components were identified, with 2-propylthietane being the major and most volatile one (50%). The chemical structure of 2-propylthietane was determined based on its mass spectral data (m/e 116,101,87,82,74,73,69,67) and proton magnetic resonance (p.m.r.) spectrum, which showed a substituted thietane with a tertiary hydrogen adjacent to the sulphur atom and four other hydrogens on the ring. The compound was synthesized by desulphurisation of 3-propyl-1,2-dithiolane with tris(diethylamino) phosphine, and the mass spectrum, retention times, and p.m.r. spectra of the synthetic compound matched those of the natural substance. The study also mentions that the sulphur-containing constituents of the anal gland secretion from the mink are likely derived from an isoprenoid biosynthesis pathway, but 2-propylthietane from the stoat does not appear to be so derived. The nature of the remaining components and those from the female stoat are still under investigation.

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