7057-46-7

Basic information

• Product Name: ThyMidine, α,α,α-trifluoro-, 3',5'-bis(4-Methylbenzoate)
• Synonyms: ThyMidine, α,α,α-trifluoro-, 3',5'-bis(4-Methylbenzoate);((2R,3S,5R)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-(trifluoro(oxo)(p-tolyl)-l7-methoxy)tetrahydrofuran-2-yl)methyl 4-methylbenzoate;NSC 92421
• CAS NO: 7057-46-7
• Molecular Formula: C₂₆H₂₃F₃N₂O₇
• Molecular Weight: 532.4652
• Mol File: 7057-46-7.mol
• Article Data: 2

Chemical Properties

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Appearance: /
• Density: 1.44g/cm³
• Refractive Index: 1.594
• CAS DataBase Reference: ThyMidine, α,α,α-trifluoro-, 3',5'-bis(4-Methylbenzoate)(CAS DataBase Reference)
• NIST Chemistry Reference: ThyMidine, α,α,α-trifluoro-, 3',5'-bis(4-Methylbenzoate)(7057-46-7)
• EPA Substance Registry System: ThyMidine, α,α,α-trifluoro-, 3',5'-bis(4-Methylbenzoate)(7057-46-7)

Safety Data

• Hazardous Substances Data: 7057-46-7(Hazardous Substances Data)

Usage

InChI:InChI=1/C26H23F3N2O7/c1-14-3-7-16(8-4-14)23(33)36-13-20-19(38-24(34)17-9-5-15(2)6-10-17)11-21(37-20)31-12-18(26(27,28)29)22(32)30-25(31)35/h3-10,12,19-21H,11,13H2,1-2H3,(H,30,32,35)

Upstream product

• 13222-85-0 p-methylbenzoic anhydride 
• 70-00-8 2'-deoxy-5-trifluoromethyluridine 
• 4330-21-6 2-deoxy-3,5-di-O-p-toluoyl-α-D-erythro-pentofuranosyl chloride 
• 54-20-6 5-trifluoromethyluracil 

Downstream Products

• 70-00-8 2'-deoxy-5-trifluoromethyluridine 

Relevant articles and documents

SOLID STATE FORMS OF 5-CHLORO-6-[(2-IMINOPYRROLIDIN-1-YL)METHYL]PYRIMIDINE-2,4-(1H,3H)-DIONE HYDROCHLORIDE AND THEIR PROCESSES FOR THE PREPARATION THEREOF

The present invention relates to solid state forms of 5-chloro-6-[(2-iminopyrrolidin-1-yl)methyl]pyrimidine-2,4-(1H,3H)-dione hydrochloride compound of formula-1a and their processes for the preparation thereof and an improved process for the preparation of 5-chloro-6-[(2-iminopyrrolidin-1-yl)methyl]pyrimidine-2,4-(1H,3H)-dione hydrochloride. The present inventors also provides an amorphous polymorph of the combination drug consisting of 2'-deoxy-5-(trifluoromethyl) uridine and 5-chloro-6-[(2-iminopyrrolidin-1-yl)methyl]pyrimidine-2,4-(1H,3H)-dione monohydrochloride and its process for the preparation.