1-[4-[4-[[2-(2,4-Dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone

Base Information

Chemical Name:1-[4-[4-[[2-(2,4-Dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone
CAS No.:79156-75-5
Deprecated CAS:102839-09-8
Molecular Formula:C26H28Cl2N4O4
Molecular Weight:531.439
Hs Code.:
European Community (EC) Number:265-667-4
ICSC Number:1700
NSC Number:317629
UN Number:2811
DSSTox Substance ID:DTXSID20273956
Nikkaji Number:J1.095.033C
Wikipedia:Ketoconazole
Wikidata:Q407883
NCI Thesaurus Code:C605
RXCUI:6135
Pharos Ligand ID:P3TD9W5HJJWL
ChEMBL ID:CHEMBL157101
Mol file:79156-75-5.mol

Synonyms:Ketoconazole;Nizoral;R 41400;R-41400;R41,400;R41400

Suppliers and Price of 1-[4-[4-[[2-(2,4-Dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
1-[4-[4-[[2-(2,4-DICHLOROPHENYL)-2-(IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL]METHOXY]PHENYL]PIPERAZIN-1-YL]ETHANONE 95.00%
5G
$ 909.56

Total 20 raw suppliers

Chemical Property of 1-[4-[4-[[2-(2,4-Dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone

Chemical Property:

Vapor Pressure:1.39E-22mmHg at 25°C
Melting Point:146℃
Refractive Index:1.642
Boiling Point:753.4 °C at 760 mmHg
PKA:6.88±0.12(Predicted)
Flash Point:409.4 °C
PSA：69.06000
Density:1.38 g/cm³
LogP:4.20870
XLogP3:4.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:530.1487608
Heavy Atom Count:36
Complexity:735

Purity/Quality:

97% ^*data from raw suppliers

1-[4-[4-[[2-(2,4-DICHLOROPHENYL)-2-(IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL]METHOXY]PHENYL]PIPERAZIN-1-YL]ETHANONE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s): R25:;
Hazard Codes: T:Toxic;
Statements: R25:;
Safety Statements: S36:; S45:;

MSDS Files:: SDS file from LookChem

Useful:

Drug Classes:Antifungal Agents
Canonical SMILES:CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl
Recent ClinicalTrials:Ketoconazole Before Surgery in Treating Patients With Recurrent Glioma or Breast Cancer Brain Metastases
Recent EU Clinical Trials:A phase 2, randomized, vehicle and ketoconazole-controlled, evaluator-blinded, study to explore the efficacy, pharmacodynamics and safety of omiganan 1.75% topical gel BID in patients with mild to moderate facial seborrheic dermatitis.
Recent NIPH Clinical Trials:The elucidation of influence and mechanisms of antifungal drugs to skin disorders caused by molecular target drugs
Inhalation Risk:A harmful concentration of airborne particles can be reached quickly when dispersed, especially if powdered.
Effects of Long Term Exposure:The substance may have effects on the endocrine system and liver. Animal tests show that this substance possibly causes toxicity to human reproduction or development.

Technology Process of 1-[4-[4-[[2-(2,4-Dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone

There total 16 articles about 1-[4-[4-[[2-(2,4-Dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

: ketokonazole

: 65277-42-1
ketoconazole

: 65277-42-1,72093-26-6,79156-75-5,83374-59-8,142128-57-2,142128-58-3,142128-59-4,142128-60-7
ketoconazole

Guidance literature:: With Beckman P/ACE MDQ Capillary Electrophoresis System equipped fused-silica capillaries (Polymicro Technologies, Phoenix, Arizona) of 50-μm ID cut with sulfobutyl ether β-cyclodextrin as chiral selector; In aq. buffer; at 25 ℃; pH=2.5; Concentration; pH-value; Reagent/catalyst; Resolution of racemate;
DOI:10.1002/chir.22777

Reference yield:

: 65277-42-1
ketoconazole

: 65277-42-1
ketoconazole

: 65277-42-1,72093-26-6,79156-75-5,83374-59-8,142128-57-2,142128-58-3,142128-59-4,142128-60-7
ketoconazole

Guidance literature:: With cellulose (3,5-dimethylphenylcarbamate) coated reduced graphene oxide(at)silica gel; In hexane; at 25 ℃; enantioselective reaction; Resolution of racemate;
DOI:10.1002/chir.22976

Reference yield:

: 79156-75-5
1-(4-{4-[2-(2,4-dichloro-phenyl)-2-imidazol-1-ylmethyl-[1,3]dioxolan-4-ylmethoxy]-phenyl}-piperazin-1-yl)-ethanone

: 65277-42-1
ketoconazole

: 142128-58-3
(2R,4R)-Ketoconazole

: 65277-42-1,72093-26-6,79156-75-5,83374-59-8,142128-57-2,142128-58-3,142128-59-4,142128-60-7
ketoconazole

: 142128-60-7
(2S,4S)-Ketoconazole

Guidance literature:: With methanol; sodium dodecyl-sulfate; 2,3,6-trimethyl-beta-cyclodextrin; sodium hydroxide; In aq. phosphate buffer; at 25 ℃; pH=2.5; pH-value; Reagent/catalyst; Temperature; Resolution of racemate;
DOI:10.1002/chir.22416