30204-45-6

Basic information

• Product Name: 7-hydroxy-7-methyl-5-phenyl-5H-2,3,6,7-tetrahydrothiazolo[2,3-a]pyrimidine
• CAS NO: 30204-45-6
• Molecular Weight: 248.349
• Mol File: 30204-45-6.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 7-hydroxy-7-methyl-5-phenyl-5H-2,3,6,7-tetrahydrothiazolo[2,3-a]pyrimidine(CAS DataBase Reference)
• NIST Chemistry Reference: 7-hydroxy-7-methyl-5-phenyl-5H-2,3,6,7-tetrahydrothiazolo[2,3-a]pyrimidine(30204-45-6)
• EPA Substance Registry System: 7-hydroxy-7-methyl-5-phenyl-5H-2,3,6,7-tetrahydrothiazolo[2,3-a]pyrimidine(30204-45-6)

Safety Data

• Hazardous Substances Data: 30204-45-6(Hazardous Substances Data)

Upstream product

• 1779-81-3 4,5-Dihydro-thiazol-2-ylamin 
• 1896-62-4 (E)-benzalacetone 
• 937-53-1 (Z)-4-phenylbut-3-en-2-one 

Relevant articles and documents

5,7-Substituted thiazolo[2,3-a]pyrimidines: Synthesis, stereochemistry and crystal structure

Reaction of 2-aminothiazoline (1) with α,β-unsaturated carbonyl compounds 2 under mild conditions (acetone, room temperature) gives two diastereomers 5-R-7-hydroxy-5H-tetrahydrothiazolo[2,3-a]pyrimidines 3. According to 1H NMR, major isomers of 3 have axial OH-groups whereas minor isomers have equatorial OH-groups. The X-ray investigation of compound 3i reveals only A type diastereomer in the crystal phase. The asymmetric unit contains two forms (A1 and A2) with slightly different geometrical parameters. Each of them consists of a pair of enantiomers E1 and E2. As a result, the asymmetric unit contains the centrosymmetric dimers (A1E1 ... A1E2 and A2E2 ... A2E1), due to the intermolecular hydrogen bonds. 5,7-Diaryl-5H-2,3-dihydrothiazolo[2,3-a]pyrimidines 4 were obtained via reaction of 1 with 2 under stronger conditions (DMF or chloroform, heating). Structure of product 4p was confirmed by X-ray structural analysis.