((3S,5R)-5-((1H-1,2,4-triazol-1-yl)methyl)-5-(2,4-difluorophenyl)-tetrahydrofuran-3-yl)methyl 4-methylbenzenesulfonate

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

CAS: 149809-43-8

Molecular Formula: C21H21F2N3O4S

((3S,5R)-5-((1H-1,2,4-triazol-1-yl)methyl)-5-(2,4-difluorophenyl)-tetrahydrofuran-3-yl)methyl 4-methylbenzenesulfonate - Names and Identifiers

Name	(5R-cis)-Toluene-4-sulfonic acid 5-(2,4-difluorophenyl)-5-(1H-1,2,4-triazol-1-yl)methyltetrahydrofuran-3-ylmethyl ester
Synonyms	Posaconazole Impurity 53 Posaconazole InterMediates (5R-cis)-Toluene-4-sulfonic acid 5-(2,4-difluorophenyl)-5-(1H-1,2,4 ((3S,5R)-5-((1H-1,2,4-triazol-1-yl)methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)methyl p-tosylate Toluene-4-sulfonica cid 5-(2,4-difluoro-phenyl)-5-[1,2,4]triazol-1-ylMethyl-tetrahydro-furan-3-ylMethyl ester ((3R,5R)-5-((1H-1,2,4-triazol-1-yl)Methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)Methyl 4-Methylbenzenesulfonate ((3S,5R)-5-((1H-1,2,4-triazol-1-yl)Methyl)-5-(2,4-difluorophenyl)-tetrahydrofuran-3-yl)Methyl 4-Methylbenzenesulfonate ((3S,5R)-5-((1H-1,2,4-triazol-1-yl)methyl)-5-(2,4-difluorophenyl)-tetrahydrofuran-3-yl)methyl 4-methylbenzenesulfonate (5R-cis)-Toluene-4-sulfonic acid 5-(2,4-difluorophenyl)-5-(1H-1,2,4-triazol-1-yl)methyltetrahydrofuran-3-ylmethyl ester (5R-cis)-toluene-4-sulfonic acid 5-(2,4-difluorophenyl)-5-(1H-1,2,4–triazol-1-yl)methyltetrahydrofuran-3-yl methyl ester (5R-cis)-toluene-4-sulfonic acid 5-(2,4-difluorophenyl)-5-(1H-1,2,4-triazol-1-yl)methyltetrahydrofuran-3-yl methyl ester (5R-cis)-Toluene-4-sulfonic acid 5-(2,4-difluorophenyl)-5-(1H-1,2,4-triazol-1-yl)Methyltetrahydrofuran-3-ylMethyl ester- (POA) 2,5-anhydro-1,3,4-trideoxy-2-(2,4-difluorophenyl)-4-({[(4-methylphenyl)sulfonyl]oxy}methyl)-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol 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
CAS	149809-43-8
EINECS	1308068-626-2
InChI	InChI=1/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-HRAATJIYSA-N

((3S,5R)-5-((1H-1,2,4-triazol-1-yl)methyl)-5-(2,4-difluorophenyl)-tetrahydrofuran-3-yl)methyl 4-methylbenzenesulfonate - Physico-chemical Properties

Molecular Formula	C21H21F2N3O4S
Molar Mass	449.47
Density	1.40
Melting Point	100-102°C
Boling Point	608.1±65.0 °C(Predicted)
Flash Point	321.6°C
Solubility	slightly sol. in Chloroform
Vapor Presure	9.85E-15mmHg at 25°C
Appearance	powder to crystal
Color	White to Orange to Green
pKa	2.75±0.10(Predicted)
Storage Condition	-20°C Freezer, Under Inert Atmosphere
Refractive Index	1.615

((3S,5R)-5-((1H-1,2,4-triazol-1-yl)methyl)-5-(2,4-difluorophenyl)-tetrahydrofuran-3-yl)methyl 4-methylbenzenesulfonate - Preparation solution concentration reference

	1mg	5mg	10mg
1 mM	2.225 ml	11.124 ml	22.248 ml
5 mM	0.445 ml	2.225 ml	4.45 ml
10 mM	0.222 ml	1.112 ml	2.225 ml
5 mM	0.044 ml	0.222 ml	0.445 ml

Last Update：2024-01-02 23:10:35

((3S,5R)-5-((1H-1,2,4-triazol-1-yl)methyl)-5-(2,4-difluorophenyl)-tetrahydrofuran-3-yl)methyl 4-methylbenzenesulfonate - Reference Information

Use	(5R-CIS)-toluene -4-sulfonic acid 5-(2, 4-difluorophenyl)-5-(1H-1,2, 4-triazol-1-yl) methyl tetrahydrofuran -3-yl methyl ester is used as posaconazole intermediate, antifungal agent, etc.

Last Update：2024-04-10 22:29:15

((3S,5R)-5-((1H-1,2,4-triazol-1-yl)methyl)-5-(2,4-difluorophenyl)-tetrahydrofuran-3-yl)methyl 4-methylbenzenesulfonate

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