3-(1,3-Dithian-2-yl)pyridine

Base Information

Chemical Name:3-(1,3-Dithian-2-yl)pyridine
CAS No.:74954-95-3
Molecular Formula:C₉H₁₁NS₂
Molecular Weight:197.325
Hs Code.:
NSC Number:187780
DSSTox Substance ID:DTXSID00307122
Nikkaji Number:J2.584.175A
Wikidata:Q82054466
ChEMBL ID:CHEMBL2132097

Synonyms:3-(1,3-dithian-2-yl)pyridine;MLS003106975;74954-95-3;NSC187780;Maybridge3_003217;CHEMBL2132097;SCHEMBL10516097;DTXSID00307122;HMS1440C05;CCG-43510;STL298221;AKOS022096129;NSC-187780;IDI1_014604;SMR000685676;SR-01000633426-1

Suppliers and Price of 3-(1,3-Dithian-2-yl)pyridine

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 5 raw suppliers

Chemical Property of 3-(1,3-Dithian-2-yl)pyridine

Chemical Property:

Vapor Pressure:7.96E-05mmHg at 25°C
Melting Point:76-78 °C
Boiling Point:352.1°C at 760 mmHg
PKA:4.34±0.12(Predicted)
Flash Point:166.8°C
PSA：63.49000
Density:1.211g/cm³
LogP:2.95030
XLogP3:2.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:197.03329170
Heavy Atom Count:12
Complexity:135

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CSC(SC1)C2=CN=CC=C2

Technology Process of 3-(1,3-Dithian-2-yl)pyridine

There total 1 articles about 3-(1,3-Dithian-2-yl)pyridine 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: 95.0%

: 500-22-1
3-pyridinecarboxaldehyde

: 109-80-8
1.3-propanedithiol

: 74954-95-3
3-(1,3-dithian-2-yl)-pyridine

Guidance literature:: With silica gel-supported phosphorus pentoxide; at 20 ℃; Neat (no solvent);
DOI:10.1080/17415993.2010.542155

Reference yield:

: 74954-95-3
3-(1,3-dithian-2-yl)-pyridine

: 4-(formamido)-1-(3-pyridyl)-1-butanone

Guidance literature:: Multi-step reaction with 4 steps

1.1: N,N,N,N,-tetramethylethylenediamine; n-butyllithium / tetrahydrofuran; hexane / -78 °C

1.2: 16 h / -78 - 20 °C

2.1: trifluoroacetic acid / dichloromethane / 3 h / 20 °C

3.1: triethylamine / methanol / 4 h / 55 °C

4.1: N-chloro-succinimide; silver nitrate / acetonitrile; water / 0.5 h / 0 °C

With N-chloro-succinimide; n-butyllithium; N,N,N,N,-tetramethylethylenediamine; silver nitrate; triethylamine; trifluoroacetic acid; In tetrahydrofuran; methanol; hexane; dichloromethane; water; acetonitrile;
DOI:10.1021/acs.chemrestox.6b00384

Reference yield:

: 873-67-6
benzonitrile oxide

: 74954-95-3
3-(1,3-dithian-2-yl)-pyridine

: 74955-15-0
Phenyl-(2-pyridin-3-yl-[1,3]dithian-2-yl)-methanone oxime

Guidance literature:: With n-butyllithium; Yield given. Multistep reaction; 1.) TMEDA, -78 deg C, 2.) THF, -78 deg C, overnight;
DOI:10.1016/S0040-4039(00)77826-9