3-Fluoro-5-(5-((2-methylthiazol-4-yl)ethynyl)pyridin-2-yl)benzonitrile

Base Information

• Chemical Name: 3-Fluoro-5-(5-((2-methylthiazol-4-yl)ethynyl)pyridin-2-yl)benzonitrile
• CAS No.: 935685-90-8
• Molecular Formula: C18H10FN3S
• Molecular Weight: 319.362
• UNII: O55CA1TU5D
• ChEMBL ID: CHEMBL3642985
• DSSTox Substance ID: DTXSID90586565
• Nikkaji Number: J3.560.335B
• Wikidata: Q82478711

Synonyms:935685-90-8;3-Fluoro-5-(5-((2-methylthiazol-4-yl)ethynyl)pyridin-2-yl)benzonitrile;STX-107;O55CA1TU5D;3-Fluoro-5-(5-((2-methylthiazol-4-yl)-ethynyl)pyridin-2-yl)benzonitrile;3-fluoro-5-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridin-2-yl]benzonitrile;3-fluoro-5-{5-[(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridin-2-yl}benzonitrile;Stx107;UNII-O55CA1TU5D;SCHEMBL1244042;CHEMBL3642985;DTXSID90586565;SYOSUEIMOYEGKU-UHFFFAOYSA-N;BDBM109095;DB-331289;US8609852, 1

Chemical Property of 3-Fluoro-5-(5-((2-methylthiazol-4-yl)ethynyl)pyridin-2-yl)benzonitrile

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 319.05794667
• Heavy Atom Count: 23
• Complexity: 530

Purity/Quality:

95+% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC(=CS1)C#CC2=CN=C(C=C2)C3=CC(=CC(=C3)C#N)F
• Recent ClinicalTrials: Evaluation of Two Radioactive Chemicals to Image mGluR5 Receptors in Brain

Technology Process of 3-Fluoro-5-(5-((2-methylthiazol-4-yl)ethynyl)pyridin-2-yl)benzonitrile

There total 1 articles about 3-Fluoro-5-(5-((2-methylthiazol-4-yl)ethynyl)pyridin-2-yl)benzonitrile 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:

3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenecarbonitrile (935685-88-4) + 2-chloro-5-[(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridine (329204-13-9) → STX-107 (935685-90-8)

Guidance literature:

With potassium carbonate; bis-triphenylphosphine-palladium(II) chloride; In 1,2-dimethoxyethane; water; at 20 - 80 ℃;

Reference yield:

STX-107 (935685-90-8) → 3-fluoro-5-{5-[(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridin-2-yl}benzonitrile hydrochloride

Guidance literature:

With hydrogenchloride; In diethyl ether; dichloromethane;

upstream raw materials:

3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenecarbonitrile

2-chloro-5-[(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridine

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