2-(1H-Pyrazol-3-YL)-1,3-thiazole

Base Information

• Chemical Name: 2-(1H-Pyrazol-3-YL)-1,3-thiazole
• CAS No.: 166196-73-2
• Molecular Formula: C6H5N3S
• Molecular Weight: 151.18900
• Hs Code.: 2934100090
• European Community (EC) Number: 826-764-2
• DSSTox Substance ID: DTXSID40391823
• Nikkaji Number: J1.070.922I
• Wikidata: Q82189550
• Mol file: 166196-73-2.mol

Synonyms:2-(1H-PYRAZOL-3-YL)-1,3-THIAZOLE;166196-73-2;2-(1H-Pyrazol-3-yl)thiazole;2-(1H-pyrazol-5-yl)thiazole;2-(1H-pyrazol-5-yl)-1,3-thiazole;942223-95-2;thiazolylpyrazole;SCHEMBL1288402;3-(2-Thiazolyl)-1H-pyrazole;2-(1H-pyrazol-3-yl)-thiazole;5-(thiazol-2-yl)-1H-pyrazole;DTXSID40391823;UZOGLHNKDHOSGA-UHFFFAOYSA-N;Thiazole,2-(1H-pyrazol-3-yl)-;MFCD00105072;AKOS005070682;AKOS006274652;CS-0309388;EN300-180806;5Z-0812;J-505364;Z1198150620

Chemical Property of 2-(1H-Pyrazol-3-YL)-1,3-thiazole

Chemical Property:

• Vapor Pressure: 8.29E-06mmHg at 25°C
• Melting Point: 154～156℃
• Boiling Point: 385.7oC at 760 mmHg
• Flash Point: 195.9oC
• PSA: 69.81000
• Density: 1.387g/cm3
• LogP: 1.53320
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 151.02041835
• Heavy Atom Count: 10
• Complexity: 120

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-(1H-Pyrazol-3-yl)-1,3-thiazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CSC(=N1)C2=CC=NN2

Technology Process of 2-(1H-Pyrazol-3-YL)-1,3-thiazole

There total 5 articles about 2-(1H-Pyrazol-3-YL)-1,3-thiazole 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: 52.0%

3-dimethylamino-1-(2-thiazolyl)-2-propen-1-one (912848-91-0) → 2-(1H-pyrazol-3-yl)-1,3-thiazole (166196-73-2,942223-95-2)

Guidance literature:

With hydrazine; In ethanol; at 10 - 60 ℃; for 11.25h;

Reference yield:

2-Acetylthiazole (24295-03-2,260998-74-1) + N,N-dimethylformamide dimethyl acetal (344241-92-5) → 2-(1H-pyrazol-5-yl)thiazole (166196-73-2)

Guidance literature:

2-Acetylthiazole; N,N-dimethylformamide dimethyl acetal; at 100 ℃;

With acetic acid; hydrazine; In dichloromethane; at 0 ℃; Reflux;

With sodium hydrogencarbonate; In dichloromethane; water;

Reference yield:

3-(dimethylamino)-1-(thiazol-2-yl)prop-2-en-1-one (191729-27-8) → 2-(1H-pyrazol-3-yl)-1,3-thiazole (166196-73-2,942223-95-2)

Guidance literature:

With hydrazine hydrate; In ethanol; for 4h; Ambient temperature;

DOI:10.1071/C98083

upstream raw materials:

3-(dimethylamino)-1-(thiazol-2-yl)prop-2-en-1-one

2-Acetylthiazole

3-dimethylamino-1-(2-thiazolyl)-2-propen-1-one

N,N-dimethylformamide dimethyl acetal

Downstream raw materials:

2,6-difluoro-N-(5-(3-(thiazol-2-yl)-1-vinyl-1H-pyrazol-5-yl)thiophen-2-yl)benzamide

5-(1-ethyl-3-(thiazol-2-yl)-1H-pyrazol-5-yl)-N-(2,4,6-trifluorophenyl)thiophene-2-carboxamide

N-(2,6-difluorophenyl)-5-(1-ethyl-3-(thiazol-2-yl)-1H-pyrazol-5-yl)thiophene-2-carboxamide

5-(1-methyl-3-(thiazol-2-yl)-1H-pyrazol-5-yl)-N-(2,4,6-trifluorophenyl)thiophene-2-carboxamide

Refernces

• 1、 Ribecai, Arianna,Bacchi, Sergio,Delpogetto, Monica,Guelfi, Simone,Manzo, Angelo Maria,Perboni, Alcide,Stabile, Paolo,Westerduin, Pieter,Hourdin, Marie,Rossi, Sara,Provera, Stefano,Turco, Lucilla. "Identification of a manufacturing route of novel CRF-1 antagonists containing a 2,3-Dihydro-1 H-pyrrolo[2,3-b]pyridine moiety". scheme or table. p. 895 - 901. Retrieved 2011/03/20.
• 2、 Harimanow, Lucia S.,Sugiyarto, Kristian H.,Craig, Donald C.,Scudder, Marcia L.,Goodwin, Harold A.. "Magnetic, spectral and structural aspects of spin transitions in iron(II) complexes of 2-(pyrazol-3-yl)pyridine and 3-(thiazol-2-yl)pyrazole". . p. 109 - 122. Retrieved 2007/10/03.