ChemicalBook--->CAS DataBase List--->67914-86-7

67914-86-7

67914-86-7 Structure

67914-86-7 Structure
IdentificationMore
[Name]

cis-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-ylmethyl methanesulphonate
[CAS]

67914-86-7
[Synonyms]

1-[[(2r,4s)-2-(2,4-dichlorophenyl)-4-(methylsulfonyloxymethyl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
1,3-DIOXOLANE-4-METHANOL, 2-(2,4-DICHLOROPHENYL)-2-(1H-1,2,4-TRIAZOL-1-YLMETHYL)-METHANESULFONATE(ESTER),(2R,4R)-REL-
CIS-[2-(2,4-DICHLOROPHENYL)-2-(1,2,4-TRIAZOL-1-YL-METHYL)-1,3-DIOXOLAN-4-YL]METHYL METHANESULPHONATE
CIS-[2-(2,4-DICHLOROPHENYL)-2-(1H-1,2,4-TRIAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL] METHYL METHANESULFATE
CIS-[2-(2,4-DICHLOROPHENYL)-2-(1H-1,2,4-TRIAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL]METHYL METHANESULFONATE
cis-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-ylmethyl methanesulphonate
CIS-DTM
2,4-dihydro-4-[[4-(4-hydroxyphenyl)-1-piperazinyl]-phenyl]-2-(1-methylpropyl)-3h-1,2,4-triazole-3-one
Cis-trimesylate
Cis-[2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-Triazol-1-Ylmethyl)-1,3-Dioxolan-4-yl]me
Cis-[2-(2,4-Dichlorophenyl)-2-(1h-1,2,4-Triazol-1-Ylmethyl)-1,3-Dioxolan-4-Yl]Methyl Methanesulfonate
cis-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolane-4-methanol,methanesulfonate(DTM)
1,3-DIOXOLANE-4-METHANOL, 2-(2,4-DICHLOROPHENYL)-2-(1H-1,2,4-TRIAZOL-1-YLMETHYL)-METHANESULFONATE(ESTER),(2R,4R)-REL-
CIS-2-(2,4-DICHLOROPHENYL)-2-(1H-1,2,4-TRIAZOL-1-YLMETHYL)-1,3-DIOXOLANE-4-METHANOL METHANESULFONATE
cis-[2,4-dichlorophenyl)-2-(1h-1,2,4-triazol-1-yl-methyl)-1,3-dioxolan-4-yl]methyl methanesulfonate
Cis-2-(2,4-DichloroPhenyl)-2(Ih-I,2,4-Triazol-L-Yl-Methy>>-L,3-Dioxolan-4-MethanolMethaneSulfonate,Itraconazole,
CHLOROPHYLLIN (IN PASTE )
Cis-[2-(2,4-Dichlorophenyl)-2-
CIS-[2-(2,4-DICHLOROPHENYL)-2-(1H-1,2,4-TRIAZOL-1-METHYL)-1,3-DIOXOLANE-4-YL]-METHYL
cis-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-y
[EINECS(EC#)]

267-749-5
[Molecular Formula]

C14H15Cl2N3O5S
[MDL Number]

MFCD06410887
[Molecular Weight]

408.26
[MOL File]

67914-86-7.mol
Chemical PropertiesBack Directory
[Appearance]

White-to-Off-White Powder
[Melting point ]

98 °C
[Boiling point ]

615.5±65.0 °C(Predicted)
[density ]

1.59±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,2-8°C
[solubility ]

Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

2.94±0.12(Predicted)
[color ]

White to Off-White
[Usage]

An intermediate in the synthesis of Itraconazole
[InChI]

InChI=1/C14H15Cl2N3O5S/c1-25(20,21)23-6-11-5-22-14(24-11,7-19-9-17-8-18-19)12-3-2-10(15)4-13(12)16/h2-4,8-9,11H,5-7H2,1H3/t11-,14+/s3
[InChIKey]

QIMASXGTWQEFGS-LNBRXUOKNA-N
[SMILES]

C(N1N=CN=C1)[C@]1(C2C=CC(Cl)=CC=2Cl)OC[C@H](COS(=O)(=O)C)O1 |&1:6,17,r|
[CAS DataBase Reference]

67914-86-7(CAS DataBase Reference)
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

Paroxetine-->Itraconazole
Hazard InformationBack Directory
[Chemical Properties]

White-to-Off-White Powder
[Uses]

An intermediate in the synthesis of Itraconazole
[Synthesis]

A preparation method for pharmaceutical intermediate cis-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-ylmethyl methanesulphonate. The method comprises the following steps: (1) at first is raw material with the Meta Dichlorobenzene, carries out friedel-crafts reaction with bromoacetyl bromide; (2) then at heteropolyacid TiSiW 12O 40/ SiO 2Following and the glycerine condensation of catalysis; (3) with the Benzoyl chloride 99min. esterification; (4) under the catalysis of yellow soda ash, it is condensed with 1,2,4-triazole, then hydrolysed and recrystallised to yield cis-alcohol; (5) obtain product with the methylsulfonyl chloride esterification.Reaction equation is following:
Synthesis of cis-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-ylmethyl methanesulphonate
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