495393-70-9

Basic information

• Product Name: methyl 5-(S)-[2-(S)-(methoxycarbonyl)-2,3,4,5-tetrahydropyrrol-1-ylcarbonyl]-1-(4-methylphenyl)-4,5-dihydropyrazole-3-carboxylate
• Synonyms: methyl 5-(S)-[2-(S)-(methoxycarbonyl)-2,3,4,5-tetrahydropyrrol-1-ylcarbonyl]-1-(4-methylphenyl)-4,5-dihydropyrazole-3-carboxylate
• CAS NO: 495393-70-9
• Molecular Weight: 373.409
• Mol File: 495393-70-9.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: methyl 5-(S)-[2-(S)-(methoxycarbonyl)-2,3,4,5-tetrahydropyrrol-1-ylcarbonyl]-1-(4-methylphenyl)-4,5-dihydropyrazole-3-carboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: methyl 5-(S)-[2-(S)-(methoxycarbonyl)-2,3,4,5-tetrahydropyrrol-1-ylcarbonyl]-1-(4-methylphenyl)-4,5-dihydropyrazole-3-carboxylate(495393-70-9)
• EPA Substance Registry System: methyl 5-(S)-[2-(S)-(methoxycarbonyl)-2,3,4,5-tetrahydropyrrol-1-ylcarbonyl]-1-(4-methylphenyl)-4,5-dihydropyrazole-3-carboxylate(495393-70-9)

Safety Data

• Hazardous Substances Data: 495393-70-9(Hazardous Substances Data)

Upstream product

• 86711-03-7 1-(1-oxoprop-2-enyl)-2-(S)-methoxycarbonyl-2,3,4,5-tetrahydropyrazole 
• 492459-29-7 N-4-methylphenyl-C-methoxycarbonylnitrilimine 

Relevant articles and documents

The diastereoisomers methyl 5-(S)-[2-(R)/(S)-methoxycarbonyl)-2,3,4,5- tetrahydropyrrol-1-ylcarbonyl]-1-(4-methylphenyl)-4,5-dihydropyrazole-3- carboxylate

The title diastereoisomers, methyl 5-(S)-[2-(S)-methoxy-carbonyl)- 2,3,4,5-tetrahydropyrrol-1-ylcarbonyl]-1-(4-methyl-phenyl)-4,5-dihydropyrazole- 3-carboxylate and methyl 5-(S)-[2-(R)-methoxycarbonyl)-2,3,4,5-tetrahydropyrrol- 1-ylcarbonyl]-1-(4-methylphenyl)-4,5-dihydropyrazole-3-carboxylate, both C19H23N3O5, have been studied in two crystalline forms. The first form, methyl 5-(S)-[2-(S)-methoxycarbonyl)-2,3,4, 5-tetrahydropyrrol-1-ylcarbonyl]-1-(4-methylphenyl)-4,5-dihydropyrazole-3- carboxylate-methyl 5-(S)-[2-(R)-methoxycarbonyl)-2,3,4,5-tetrahydropyrrol- 1-ylcarbonyl]-1-(4-methylphenyl)-4,5-dihydropyrazole-3-carboxylate(1/1), 2(S),-5(S)-C19H23N3O5·2(R), 5(S)-C19H23N3O5, contains both S,S and S,R isomers, while the second, methyl 5-(S)-[2-(S)-methoxycarbonyl)-2,3,4,5- tetrahydropyrrol-1-ylcarbonyl]-1-(4-methylphenyl)-4,5-dihydropyrazole-3- carboxylate, 2(S),-5(S)-C19H23N3O5, is the pure S,S isomer. The S,S isomers in the two structures show very similar geometries, the maximum difference being about 15° on one torsion angle. The differences between the S,S and S,R isomers, apart from those due to the inversion of one chiral centre, are more remarkable, and are partially due to a possible rotational disorder of the 2-(methoxycarbonyl)tetrahydropyrrole group.