| Identification | More | [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 Properties | Back 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) |
| Hazard Information | Back 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:
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