Basic information Safety Supplier Related

cis-[2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl-4-methylbenzenesulphonate

Basic information Safety Supplier Related

cis-[2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl-4-methylbenzenesulphonate Basic information

Product Name:
cis-[2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl-4-methylbenzenesulphonate
Synonyms:
  • cis-[2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl-4-methylbenzenesulphonate
  • CIS-2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOLE-1-YL)METHYL-4-(P-TOLUENE SULFONYLOXY) METHYL-1,3-DIOXALANE
  • CIS-[2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-YL METHYL)-1,3-DIOXOLANE-4-YL]-P-METHYLBENZENE SULFONATE
  • CIS-TOSYLATE
  • ACTIVITY ESTEROF KETOCONAZOL
  • CIS-[2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-YL METHYL)-1,3-DIOXOLANE-4-YL]-P-METHYLBENZENE SULFONATE OR -P-METHYL SULFONATE (KETOCONAZLE INTERMEDIATE)
  • Ketoconazole EP Impurity E
  • Cis-[2-(2,4-Dichlorophenyl)-2-(1H-imidazol-l-ylmethyl)- 1,3-dioxolan-4-yl]methyl-4-methylbenzenesulphonate (CisTosylate)
CAS:
134071-44-6
MF:
C21H20Cl2N2O5S
MW:
483.36
EINECS:
603-791-6
Product Categories:
  • Aromatics
  • Intermediates & Fine Chemicals
  • Pharmaceuticals
  • Heterocycles
  • Intermediates
  • Sulfur & Selenium Compounds
  • Pharmaceutical Intermediates
Mol File:
134071-44-6.mol
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cis-[2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl-4-methylbenzenesulphonate Chemical Properties

Melting point:
120-122°C
Boiling point:
665.7±55.0 °C(Predicted)
Density 
1.44±0.1 g/cm3(Predicted)
storage temp. 
Inert atmosphere,Room Temperature
solubility 
DMSO (Slightly), Methanol (Slightly)
form 
Solid
pka
6.88±0.12(Predicted)
color 
White to Off-White
InChI
InChI=1/C21H20Cl2N2O5S/c1-15-2-5-18(6-3-15)31(26,27)29-12-17-11-28-21(30-17,13-25-9-8-24-14-25)19-7-4-16(22)10-20(19)23/h2-10,14,17H,11-13H2,1H3/t17-,21-/s3
InChIKey
WAXNIYHZFWRPGS-NTMXNBFVNA-N
SMILES
[C@@]1(OC[C@@H](COS(=O)(=O)C2C=CC(C)=CC=2)O1)(CN1C=NC=C1)C1=CC=C(Cl)C=C1Cl |&1:0,3,r|
CAS DataBase Reference
134071-44-6(CAS DataBase Reference)
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cis-[2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl-4-methylbenzenesulphonate Usage And Synthesis

Chemical Properties

Off-White Solid

Uses

cis-[2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl p-Tolylsulfonate (Ketoconazole EP Impurity E) is an intermediate in the synthesis of the drug Ketoconazole (K186000).

cis-[2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl-4-methylbenzenesulphonateSupplier

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