71764-42-6

Basic information

• Product Name: 6,9a-diphenyl-1,2,3,4,9,9a-hexahydropyrimido[2,1-c][1,4]thiazine
• Synonyms: 6,9a-Diphenyl-1,2,3,4,9,9a-hexahydropyrimido(2,1-c)(1,4)thiazine; 6,9a-Diphenyl-1,2,3,4,9,9a-hexahydropyrimido[2,1-c][1,4]thiazine
• CAS NO: 71764-42-6
• Molecular Formula: C₁₉H₂₀N₂S
• Molecular Weight: 308.4405
• Mol File: 71764-42-6.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 482.5°C at 760 mmHg
• Flash Point: 245.6°C
• Density: 1.23g/cm³
• Vapor Pressure: 1.82E-09mmHg at 25°C
• Refractive Index: 1.689
• CAS DataBase Reference: 6,9a-diphenyl-1,2,3,4,9,9a-hexahydropyrimido[2,1-c][1,4]thiazine(CAS DataBase Reference)
• NIST Chemistry Reference: 6,9a-diphenyl-1,2,3,4,9,9a-hexahydropyrimido[2,1-c][1,4]thiazine(71764-42-6)
• EPA Substance Registry System: 6,9a-diphenyl-1,2,3,4,9,9a-hexahydropyrimido[2,1-c][1,4]thiazine(71764-42-6)

Safety Data

• Hazardous Substances Data: 71764-42-6(Hazardous Substances Data)

Upstream product

• 2461-80-5 diphenacyl sulfide 
• 109-76-2 Trimethylenediamine 

Downstream Products

• 88886-19-5 palladium(II)(1,2,3,4,9,9a-hexahydro-6,9a-di-phenylpyrimido[2,1-c][1,4]thiazine) dibromide 

Relevant articles and documents

Structure of 1,2,3,4,9,9a-hexahydro-6,9a-diphenyl-1H-pyrimidothiazine

The title compound C18H20N2S is monoclinic, with a = 10.256(2), b = 7.470(4), c = 21.377(4) Angstroem, β = 101.52(2) deg, z = 4 and space group P21/n.The structure was solved by direct methods, and refined by weighted full-matrix least squares.The refinement, based on 1373 reflections with I >/= 2.5?(I), converged to a final R of 0.062 (Rw = 0.060).The conformation of the thiazine ring is a distorted half chair, and that of the pyrimidine ring is a distorted chair.All nonhydrogen intermolecular distances are greater than 3.5 Angstroem.