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| | cis-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-ylmethyl methanesulphonate Basic information |
| Product Name: | cis-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-ylmethyl methanesulphonate | | Synonyms: | 2,4-dihydro-4-[[4-(4-hydroxyphenyl)-1-piperazinyl]-phenyl]-2-(1-methylpropyl)-3h-1,2,4-triazole-3-one;Cis-trimesylate;CIS-DTM;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 | | CAS: | 67914-86-7 | | MF: | C14H15Cl2N3O5S | | MW: | 408.26 | | EINECS: | 267-749-5 | | Product Categories: | Pharmaceutical Intermediates;INTERMEDIATESOFITRACONAZOLE;Intermediates & Fine Chemicals;Pharmaceuticals | | Mol File: | 67914-86-7.mol |  |
| | cis-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-ylmethyl methanesulphonate Chemical Properties |
| Melting point | 98 °C | | Boiling point | 615.5±65.0 °C(Predicted) | | density | 1.59±0.1 g/cm3(Predicted) | | storage temp. | 2-8°C | | solubility | Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly) | | form | Solid | | pka | 2.94±0.12(Predicted) | | color | White to Off-White | | 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) |
| | cis-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-ylmethyl methanesulphonate Usage And Synthesis |
| 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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| | cis-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-ylmethyl methanesulphonate Preparation Products And Raw materials |
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