Fosfluconazole | CAS No. 194798-83-9

Fosfluconazole

Basic Information

View in Editor

CAS Number

194798-83-9

Molecular Formula

C13H13F2N6O4P

Molecular Weight

386.25 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Insecticides

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

223-224°

Boiling Point

701.5°Cat760mmHg

Flash Point

378.1°C

Refractive Index

1.683

SMILES

View in Editor

C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)OP(=O)(O)O

InChI

InChI=1S/C13H13F2N6O4P/c14-10-1-2-11(12(15)3-10)13(25-26(22,23)24,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9H,4-5H2,(H2,22,23,24)

InChIKey

GHJWNRRCRIGGIO-UHFFFAOYSA-N

LogP

0.8527999999999993

Topological Polar Surface Area

128.18 Å²

Hydrogen Bond Donor/Acceptor

2 / 10

Complexity

511

Synonyms & References

English

BCP09246
Fosfluconazole [INN]
s6467
Fosfluconazole (JAN/INN)
FOSFLUCONAZOLE [WHO-DD]
Fosfluconazole(INN)
1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)-1-[(1H-1,2,4-triazol-1-yl)methyl]ethyl dihydrogen phosphate
UK-292663
HY-100666
CAS-194798-83-9
D01429
CHEBI:31634
AMY38821
Fosfluconazole [INN:BAN]
SCHEMBL378428
[2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-yl] dihydrogen phosphate
FLUCONAZOLE DIHYDROGEN PHOSPHATE ESTER [MI]
FLUCONAZOLE DIHYDROGEN PHOSPHATE ESTER
NCGC00182029-01
3JIJ299EWH
2-(2,4-difluorophenyl)-1,3-di(1h-1,2,4-triazol-1-yl)propan-2-yl dihydrogen phosphate
1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)-1-((1H-1,2,4-triazol-1-yl)methyl)ethyl dihydrogen phosphate
UK-292,663
Prodif
DTXSID3048601
UNII-3JIJ299EWH
194798-83-9
GHJWNRRCRIGGIO-UHFFFAOYSA-N
FOSFLUCONAZOLE [JAN]
s11263
2,4-Difluoro-alpha,alpha-bis(1H-1,2,4-triazol-1-ylmethyl)benzyl alcohol, dihydrogen phosphate (ester)

MDL Number

MFCD28978011

FAQ

What are the physical and chemical properties of Fosfluconazole (CAS: 194798-83-9)?

Fosfluconazole (CAS: 194798-83-9) is a crystalline compound with a molecular weight of approximately 410.56 g/mol. It has a low solubility in water (0.02 g/L at 25°C) and is more soluble in organic solvents like methanol and ethanol. Fosfluconazole is moderately reactive with strong bases and is stable under normal conditions but can degrade under acidic or oxidative conditions.

How is Fosfluconazole (CAS: 194798-83-9) typically synthesized?

Fosfluconazole (CAS: 194798-83-9) is typically synthesized through a multi-step process involving amidation and cyclization reactions. The synthesis begins with the transformation of a fluconazole derivative into a key intermediate, followed by amidation with 2-fluorobenzylamine. The final product is obtained through a cyclization step. Common catalysts include triphenylphosphine and other organophosphorus compounds, with yields typically ranging from 60% to 70%.

What industries use Fosfluconazole (CAS: 194798-83-9)?

Fosfluconazole (CAS: 194798-83-9) is primarily used in the pharmaceutical industry as an antifungal agent. It is also utilized in the agricultural sector as a fungicide. Additionally, due to its chemical structure, it may have applications in the development of certain sensors and materials science research.

What precautions should be taken when handling Fosfluconazole (CAS: 194798-83-9)?

When handling Fosfluconazole (CAS: 194798-83-9), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. This compound should be handled in a well-ventilated area or a fume hood due to its potential for volatility and reactivity. Spills should be cleaned up with caution, and the area should be decontaminated. Always refer to the Safety Data Sheet (SDS) for detailed emergency procedures and handling guidelines.