Pramiconazole

Base Information

• Chemical Name: Pramiconazole
• CAS No.: 219923-85-0
• Molecular Formula: C₃₅H₃₉F₂N₇O₄
• Molecular Weight: 659.736
• UNII: 4SYH0R661F
• DSSTox Substance ID: DTXSID80944594
• Wikipedia: Pramiconazole
• Wikidata: Q76149136
• NCI Thesaurus Code: C72830
• Metabolomics Workbench ID: 149728
• ChEMBL ID: CHEMBL175633
• Mol file: 219923-85-0.mol

Synonyms:1-(4-(4-(4-((4-(2,4-difluorophenyl)-4-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-yl)methoxy)phenyl)piperazin-1-yl)phenyl)-3-(1-methylethyl)-2-imidazolidinone;pramiconazole;R 126638;R-126638;R126638

Chemical Property of Pramiconazole

Chemical Property:

• PSA: 88.43000
• LogP: 5.01360
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 10
• Exact Mass: 659.30315907
• Heavy Atom Count: 48
• Complexity: 1060

Purity/Quality:

98%min ^*data from raw suppliers

PRAMICONAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)N1CCN(C1=O)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5OCC(O5)(CN6C=NC=N6)C7=C(C=C(C=C7)F)F
• Isomeric SMILES: CC(C)N1CCN(C1=O)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OC[C@H]5OC[C@](O5)(CN6C=NC=N6)C7=C(C=C(C=C7)F)F
• Recent EU Clinical Trials: An open label phase IIa trial to assess efficacy and tolerability of a once a week oral dose of 200 mg R126638 in disto-lateral toenail onychomycosis.
• Uses: Antifungal agent.

Technology Process of Pramiconazole

There total 24 articles about Pramiconazole 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: 63.0%

(2S)-cis-1-[[2-(bromomethyl)-4-(2,4-difluorophenyl)-1,3-dioxolan-4-yl]methyl]-1H-1,2,4-triazole (219923-97-4) + 1-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-3-(1-methylethyl)-2-imidazolidinone (95182-62-0) → (2S-cis)-1-{4-[4-(4-{[4-(2,4-difluorophenyl)-4-(1H-1,2,4-triazol-1-yl-methyl)-1,3-dioxolan-2-yl]methoxy}phenyl)-piperazin-1-yl]phenyl}-3-(1-methylethyl)-2-imidazolidinone (219923-85-0)

Guidance literature:

With sodium hydroxide; In N,N-dimethyl-formamide; at 60 ℃;

DOI:10.1021/jm0494772

Reference yield: 34.0%

(2R)-cis-1-[[2-(bromomethyl)-4-(2,4-difluorophenyl)-1,3-dioxolan-4-yl]methyl]-1H-1,2,4-triazole (219923-96-3) + 1-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-3-(1-methylethyl)-2-imidazolidinone (95182-62-0) → 1-[4-(4-{4-[(2R,4S)-4-(2,4-Difluoro-phenyl)-4-[1,2,4]triazol-1-ylmethyl-[1,3]dioxolan-2-ylmethoxy]-phenyl}-piperazin-1-yl)-phenyl]-3-isopropyl-imidazolidin-2-one (219923-85-0)

Guidance literature:

With sodium hydroxide; In N,N-dimethyl-formamide; at 60 ℃;

DOI:10.1021/jm0494772

Reference yield:

1-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-3-(1-methylethyl)-2-imidazolidinone (95182-62-0) → 1-[4-[4-[4-[[4-(2,4-difluorophenyl)-4-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-yl]methoxy]phenyl]-1-piperazinyl]phenyl]-3-(1-methylethyl)-2-imidazolidinone (318236-81-6,219923-85-0)

Guidance literature:

With sodium hydroxide; In dichloromethane; ethyl acetate; N,N-dimethyl-formamide;

upstream raw materials:

(2S)-cis-1-[[2-(bromomethyl)-4-(2,4-difluorophenyl)-1,3-dioxolan-4-yl]methyl]-1H-1,2,4-triazole

1-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-3-(1-methylethyl)-2-imidazolidinone

2-(2,4-difluoro-phenyl)-2-hydroxy-3-[1,2,4]triazol-1-yl-propionic acid

1,3-dihydro-1-[4-[4-(4-methoxyphenyl)-1-piperazinyl]phenyl]-3-(1-methylethyl)-2H-imidazol-2-one

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