alpha-(2,4-Dichlorophenyl)-1H-imidazole-1-ethanol

Base Information

• Chemical Name: alpha-(2,4-Dichlorophenyl)-1H-imidazole-1-ethanol
• CAS No.: 24155-42-8
• Deprecated CAS: 100220-51-7,64207-33-6
• Molecular Formula: C11H10Cl2N2O
• Molecular Weight: 257.119
• Hs Code.: 2933290000
• European Community (EC) Number: 246-042-5
• UNII: CP4AM80T68
• DSSTox Substance ID: DTXSID3074737
• Nikkaji Number: J86.829I
• Wikidata: Q27275605
• ChEMBL ID: CHEMBL1327
• Mol file: 24155-42-8.mol

Synonyms:1-(2-(2,4-dichlorophenyl)-2-hydroxyethyl)-1H-imidazole;1-(2-(2,4-dichlorophenyl)-2-hydroxyethyl)-1H-imidazole hydrochloride;R 14821

Chemical Property of alpha-(2,4-Dichlorophenyl)-1H-imidazole-1-ethanol

Chemical Property:

• Appearance/Colour: White to light pink crystal
• Vapor Pressure: 1.41E-09mmHg at 25°C
• Melting Point: 134-138 °C
• Refractive Index: 1.626
• Boiling Point: 468.5 °C at 760 mmHg
• PKA: 12.25±0.20(Predicted)
• Flash Point: 237.1 °C
• PSA: 38.05000
• Density: 1.39 g/cm³
• LogP: 2.92350
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• Water Solubility.: 1300 g/L (20 ºC)
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 256.0170183
• Heavy Atom Count: 16
• Complexity: 230

Purity/Quality:

99% ^*data from raw suppliers

rac-1-(2,4-Dichlorophenyl)-2-(1-imidazolyl)ethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi
• Statements: 22-36/37/38
• Safety Statements: 38-28B-36-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)Cl)C(CN2C=CN=C2)O
• Uses: Intermediate in the preparation of Miconazole. An impurity in the synthesis of Fenticonazole. An impurity in the synthesis of Ketoconazole. Intermediate in the preparation of Miconazole.An impurity in the synthesis of Fenticonazole.An impurity in the synthesis of Ketoconazole.Econazole EP Impurity A.

Technology Process of alpha-(2,4-Dichlorophenyl)-1H-imidazole-1-ethanol

There total 15 articles about alpha-(2,4-Dichlorophenyl)-1H-imidazole-1-ethanol 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: 98.0%

→ 1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethan-1-ol (24155-42-8)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 20 ℃; for 2h;

Reference yield: 98.0%

1-(2,4-dichlorophenyl)-2-(imidazol-1-yl)ethanone (46503-52-0) → 1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethan-1-ol (24155-42-8)

Guidance literature:

With sodium tetrahydroborate; In ethanol; at 20 ℃; for 12h;

DOI:10.1016/j.ejmech.2020.112360

Reference yield: 95.0%

1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)-ethanone nitrate (24155-29-1) → 1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethan-1-ol (24155-42-8)

Guidance literature:

With sodium tetrahydroborate; In methanol; for 2h;

DOI:10.1021/jm020980t

upstream raw materials:

1H-imidazole

2-(2,4-dichlorophenyl)oxirane

1-(2,4-dichlorophenyl)-2-(imidazol-1-yl)ethanone

1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)-ethanone nitrate

Downstream raw materials:

1-(2,4-dichloro-phenyl)-1-heptanoyloxy-2-imidazol-1-yl-ethane

1-[2-butoxy-2-(2,4-dichloro-phenyl)-ethyl]-1H-imidazole

1-[2-(2,4-dichloro-phenyl)-2-ethoxy-ethyl]-1H-imidazole

1-(2,4-dichloro-phenyl)-1-dodecanoyloxy-2-imidazol-1-yl-ethane

Refernces

• 1、 -. "BuChE-IDO1 inhibitor as well as preparation method and application thereof". Paragraph 0031-0033; 0040-0042. . Retrieved 2021/04/26.
• 2、 Barut, Burak,Sari, Suat,Sabuncuo?lu, Suna,?zel, Arzu. "Azole antifungal compounds could have dual cholinesterase inhibitory potential according to virtual screening, enzyme kinetics, and toxicity studies of an inhouse library". . . Retrieved 2021/03/23.