[(2S,4S)-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-Triazol-1-Ylmethyl)-1,3-Dioxolan-4-Yl]Methyl 4-Methylbenzenesulfonate - Names and Identifiers
Name | cis-[2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl-4-methylbenzenesulphonate
|
Synonyms | Cis-Tosylate Activity Esterof Ketoconazol Cis-[2,4-Dichlorophenyl)-2-(1H-Imidazol-1-Ylmethyl)-1,3-Dioxalan-4-Yl]Methyl-P-Tolysulfonate Cis-[2-(2,4-Dichlorophenyl)-2-(1H-Imidazol-Yl Methyl)-1,3-Dioxolane-4-Yl]-P-Methylbenzene Sulfonate Cis-2-(2,4-Dichlorophenyl)-2-(1H-Imidazole-1-Yl)Methyl-4-(P-Toluene Sulfonyloxy) Methyl-1,3-Dioxalane (2R,4R) Cis-(2,4-Dichlorophenyl)-2-(1,2,4-Triazole-1-Yl-Methyl)-1,3-Dioxolane-4Yl-Methyl-P-Tolysulfonate cis-[2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl-4-methylbenzenesulphonate [(2S,4S)-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-Triazol-1-Ylmethyl)-1,3-Dioxolan-4-Yl]Methyl 4-Methylbenzenesulfonate Cis-[2-(2,4-Dichlorophenyl)-2-(1H-Imidazol-Yl Methyl)-1,3-Dioxolane-4-Yl]-P-Methylbenzene Sulfonate Or -P-Methyl Sulfonate (Ketoconazle Intermediate)
|
CAS | 134071-44-6
|
EINECS | 603-791-6 |
InChI | InChI=1/C20H19Cl2N3O5S/c1-14-2-5-17(6-3-14)31(26,27)29-10-16-9-28-20(30-16,11-25-13-23-12-24-25)18-7-4-15(21)8-19(18)22/h2-8,12-13,16H,9-11H2,1H3/t16-,20+/m0/s1 |
[(2S,4S)-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-Triazol-1-Ylmethyl)-1,3-Dioxolan-4-Yl]Methyl 4-Methylbenzenesulfonate - Physico-chemical Properties
Molecular Formula | C21H20Cl2N2O5S
|
Molar Mass | 483.365 |
Density | 1.49g/cm3 |
Melting Point | 120-122°C |
Boling Point | 657.7°C at 760 mmHg |
Flash Point | 351.6°C |
Vapor Presure | 3.58E-17mmHg at 25°C |
Appearance | grayish white solid |
pKa | 6.88±0.12(Predicted) |
Storage Condition | Inert atmosphere,Room Temperature |
Refractive Index | 1.65 |
[(2S,4S)-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-Triazol-1-Ylmethyl)-1,3-Dioxolan-4-Yl]Methyl 4-Methylbenzenesulfonate - Introduction
Cis-[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl] methanol is an organic compound, usually a white crystalline solid. It has some of the following properties:
1. relative molecular mass: about 414g/mol.
2. Melting point: about 60-62°C.
3. Solubility: It is soluble in many organic solvents, such as ethanol, methanol, etc.
4. Stability: It is a relatively stable compound, but it may decompose under strong acid or strong alkali conditions.
The main use of this compound is as an important intermediate in organic synthesis, especially for pharmaceutical research and manufacturing. It plays an important role in the synthesis of many drugs, such as anti-tumor drugs, anti-inflammatory drugs and so on. In addition, it can also be used as a raw material for catalysts, pigments and dyes.
The preparation of cis-[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl] methanol can be carried out by the following steps:
1. The p-toluenesulfonic acid ester is hydrogenated with hydrogen to obtain the corresponding toluenesulfonic acid.
2. the amide condensation reaction of toluene sulfonic acid and 2,4-dichlorobenzaldehyde under alkaline conditions to obtain the corresponding amide.
3. Substitute the amide with 1H-imidazolecarboxaldehyde under basic conditions to generate the desired target compound.
For safety information, cis-[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl] methanol should refer to its safety data sheet for specific information. During handling and use, follow appropriate laboratory practices, wear personal protective equipment, ensure that good ventilation is provided, and avoid inhalation, intake or contact.
Last Update:2024-04-09 20:52:54