Toluene-4-sulfonic acid 5-(2,4-difluorophenyl)-5-(1H-1,2,4-triazol-1-yl)methyltetrahydrofuran-3-ylmethyl ester

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For Research Use Only.

Category

Impurities

Cat.No.

NP3535

CAS

149809-43-8

Product Name

Toluene-4-sulfonic acid 5-(2,4-difluorophenyl)-5-(1H-1,2,4-triazol-1-yl)methyltetrahydrofuran-3-ylmethyl ester

Structure

Product Details

Description

Posaconazole Diastereoisomer Related Compound 8 is an impurity of Posaconazole. Posaconazole is a broad-spectrum triazole compound that is active against fungi by inhibiting the lanosterol 14α-demethylase enzyme.

Synonyms

Posaconazole Impurity 29; (5R-cis)-Toluene-4-sulfonic Acid 5-(2,4-Difluorophenyl)-5-[1,2,4]triazol-1-ylmethyltetrahydrofuran-3-ylmethyl Ester; p-Toluenesulfonic Acid (3S,5R)-5-(2,4-Difluorophenyl)-5-[(1H-1,2,4-triazol-1-yl)methyl]oxolan-3-ylmethyl Ester; 2,5-Anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol; Posaconazole Impurity

IUPAC Name

[(3S,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methyl 4-methylbenzenesulfonate

Molecular Weight

449.47

Molecular Formula

C21H21F2N3O4S

Canonical SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CC(OC2)(CN3C=NC=N3)C4=C(C=C(C=C4)F)F

InChI

InChI=1S/C21H21F2N3O4S/c1-15-2-5-18(6-3-15)31(27,28)30-11-16-9-21(29-10-16,12-26-14-24-13-25-26)19-7-4-17(22)8-20(19)23/h2-8,13-14,16H,9-12H2,1H3/t16-,21-/m0/s1

InChIKey

DFWVLCJRFGIRAK-KKSFZXQISA-N

Boiling Point

608.1ºC at 760 mmHg

Melting Point

100-102°C

Purity

>95%

Density

1.4

Solubility

Soluble in Chloroform, Ethyl Acetate, Methanol

Appearance

White to Off-white Solid

Application

Posaconazole intermediate. Antifungal agent

Storage

Store at -20°C

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