194602-25-0

Basic information

• Product Name: dibenzyl (2-(2,4-difluorophenyl)-1,3-di(1H-1,2,4-triazol-1-yl)propan-2-yl) phosphate
• Synonyms: dibenzyl (2-(2,4-difluorophenyl)-1,3-di(1H-1,2,4-triazol-1-yl)propan-2-yl) phosphate
• CAS NO: 194602-25-0
• Molecular Formula: C₂₇H₂₅F₂N₆O₄P
• Molecular Weight: 566.4957674
• Mol File: 194602-25-0.mol
• Article Data: 4

Chemical Properties

• Appearance: /
• CAS DataBase Reference: dibenzyl (2-(2,4-difluorophenyl)-1,3-di(1H-1,2,4-triazol-1-yl)propan-2-yl) phosphate(CAS DataBase Reference)
• NIST Chemistry Reference: dibenzyl (2-(2,4-difluorophenyl)-1,3-di(1H-1,2,4-triazol-1-yl)propan-2-yl) phosphate(194602-25-0)
• EPA Substance Registry System: dibenzyl (2-(2,4-difluorophenyl)-1,3-di(1H-1,2,4-triazol-1-yl)propan-2-yl) phosphate(194602-25-0)

Safety Data

• Hazardous Substances Data: 194602-25-0(Hazardous Substances Data)

Upstream product

• 100-51-6 benzyl alcohol 
• 108549-23-1 Dibenzyl N,N-diisopropylphosphoramidite 
• 86386-73-4 fluconazole 

Downstream Products

• 194798-83-9 Fosfluconazole 

Relevant articles and documents

The discovery and process development of a commercial route to the water soluble prodrug, fosfluconazole

A case history detailing the rationale behind the discovery of 2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazole-1-yl)-2-propyl dihydrogen phosphate, fosfluconazole (2), a water-soluble prodrug of Diflucan, and the subsequent development of a commercial route is presented. Particular items to note are (i) that this compound was discovered in the Chemical Research and Development Department, hence Chemical Research and Development can play a key role in prodrug discovery, (ii) the strategy behind the selection of phosphate ester promoiety, by phosphorylation of a sterically hindered tertiary alcohol, (iii) the development of the initial route to remove thermally hazardous reagents and to improve processing to allow scale-up, and (iv) the identification and development of the proposed commercial process.

Synthesizing method for preparing 2,4-difluoro-alpha, alpha-bi(1hydrogen-1,2,4-triazole-1-methyl) benzyl alcohol dibenzyl phosphate

The invention relates to a medicine midbody preparation method and provides a synthesizing method for preparing 2,4-difluoro-alpha, alpha-bi(1hydrogen-1,2,4-triazole-1-methyl) benzyl alcohol dibenzyl phosphate. An original technology is improved in the method, a fosfluconazole midbody is synthesized through the method by adding the catalytic amount of iodine and changing the feeding sequence, and the yield can reach over 80% and is increased by 10-20% compared with existing literature reports. Use of alkaline in the reaction process is reduced, reaction is more moderate, operation is easy, and reaction cost is lowered.