2-Propylthiazole

Base Information

• Chemical Name: 2-Propylthiazole
• CAS No.: 17626-75-4
• Molecular Formula: C6H9NS
• Molecular Weight: 127.21
• Hs Code.: 2934100090
• European Community (EC) Number: 241-606-7
• UNII: T395979VRL
• DSSTox Substance ID: DTXSID7066229
• Nikkaji Number: J45.587C
• Wikidata: Q27289608
• Mol file: 17626-75-4.mol

Synonyms:2-Propylthiazole;17626-75-4;2-Propyl-1,3-thiazole;Thiazole, 2-propyl-;2-n-Propylthiazole;UNII-T395979VRL;T395979VRL;EINECS 241-606-7;Thiazole,2-propyl-;2-Normal-propyl thiazole;2-propylthiazol;2-Propyl-1,3-thiazole #;SCHEMBL257550;DTXSID7066229;2-Propyl-1,3-thiazole, AldrichCPR;MFCD00053154;AKOS005256913;TS-01670;CS-0152406;FT-0613381;P1837;D84132;W-107839;Q27289608

Chemical Property of 2-Propylthiazole

Chemical Property:

• Appearance/Colour: clear colorless to yellow liquid
• Vapor Pressure: 2.16mmHg at 25°C
• Refractive Index: 1.5055
• Boiling Point: 168.3 °C at 760 mmHg
• PKA: 3.44±0.10(Predicted)
• Flash Point: 53.1 °C
• PSA: 41.13000
• Density: 1.047 g/cm³
• LogP: 2.09560
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 127.04557046
• Heavy Atom Count: 8
• Complexity: 65.5

Purity/Quality:

97% ^*data from raw suppliers

2-Propylthiazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn; Xi
• Hazard Codes: Xn,Xi
• Statements: 22-10-41
• Safety Statements: 36/37/39-26-23-16-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1=NC=CS1

Technology Process of 2-Propylthiazole

There total 2 articles about 2-Propylthiazole 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: 84.0%

2-(methanesulfonyl)thiazole (69749-91-3) + propyl bromide (106-94-5) → 2-(n-propyl)-thiazole (17626-75-4)

Guidance literature:

propyl bromide; With magnesium; In tetrahydrofuran; at 35 - 40 ℃; for 2h; Inert atmosphere;

2-(methanesulfonyl)thiazole; In tetrahydrofuran; at 0 - 20 ℃; for 1h; Inert atmosphere;

Reference yield:

→ 2-(n-propyl)-thiazole (17626-75-4)

Guidance literature:

/BRN= 98428/,Chloracetaldehyd;

DOI:10.1021/jf60192a009

Reference yield: 100.0%

2-(n-propyl)-thiazole (17626-75-4) + 1-bromo-4-methoxy-benzene (104-92-7) → 2-(4-methoxyphenyl)-5-n-propylthiazole (1042318-29-5)

Guidance literature:

With dichloro[1-(β-methallyl)-3-(4-methylbenzyl)benzimidazole-2-ylidene]pyridine palladium(II); potassium acetate; In N,N-dimethyl acetamide; at 130 ℃; for 1h; Reagent/catalyst; Inert atmosphere; Schlenk technique;

DOI:10.1016/j.jorganchem.2019.121076

upstream raw materials:

2-(methanesulfonyl)thiazole

propyl bromide

Downstream raw materials:

5-(3,5-dimethoxyphenyl)-2-n-propylthiazole

5-phenyl-2-n-propylthiazole

5-(4-tert-butylphenyl)-2-n-propylthiazole

5-(3-N,N-dimethylaminophenyl)-2-n-propylthiazole

Refernces

Dichlorido(3-chloropyridine-N)[1,3-dialkylbenzimidazol-2-ylidene]palladium(II) complexes: Synthesis, characterization and catalytic activity in the arylation reaction

10.1016/j.ica.2015.01.019

This research details the synthesis, characterization, and evaluation of six novel Pyridine Enhanced Precatalyst Preparation, Stabilization, and Initiation (PEPPSI) themed palladium N-heterocyclic carbene (Pd-NHC) complexes (2a-f) for their catalytic activity in direct arylation reactions. The purpose of the study was to create and test new Pd-NHC complexes for their efficiency in catalyzing the arylation of heteroaromatic compounds with aryl bromides. The researchers synthesized the complexes using 1,3-dialkylbenzimidazolium salts, PdCl2, and K2CO3 in 3-chloropyridine, and characterized them using elemental analysis and spectroscopic methods including FT-IR, 1H and 13C NMR. The conclusions of the study indicated that these complexes, when used as catalysts in the direct arylation of 2-n-propylthiazole, 2-n-butylthiophene, and 2-n-butylfuran with different aryl bromides at 130°C for 1 hour, exhibited high catalytic activities, suggesting their potential use in organic chemistry for the formation of aryl-aryl bonds.