Pyrimidine, 4-[(5-bromopentyl)oxy]-6-(4-fluorophenyl)-2-methyl-

Base Information

• Chemical Name: Pyrimidine, 4-[(5-bromopentyl)oxy]-6-(4-fluorophenyl)-2-methyl-
• CAS No.: 649761-34-2
• Molecular Formula: C16H18BrFN2O
• Molecular Weight: 353.234
• DSSTox Substance ID: DTXSID20477730
• Wikidata: Q82310610

Synonyms:649761-34-2;Pyrimidine, 4-[(5-bromopentyl)oxy]-6-(4-fluorophenyl)-2-methyl-;DTXSID20477730

Chemical Property of Pyrimidine, 4-[(5-bromopentyl)oxy]-6-(4-fluorophenyl)-2-methyl-

Chemical Property:

• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 352.05865
• Heavy Atom Count: 21
• Complexity: 288

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC(=CC(=N1)OCCCCCBr)C2=CC=C(C=C2)F

Technology Process of Pyrimidine, 4-[(5-bromopentyl)oxy]-6-(4-fluorophenyl)-2-methyl-

There total 1 articles about Pyrimidine, 4-[(5-bromopentyl)oxy]-6-(4-fluorophenyl)-2-methyl- 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:

1,5-dibromo-pentane (111-24-0) + 4-(4-fluorophenyl)-6-hydroxy-2-methylpyrimidine (178430-09-6) → 5-bromopentyl-6-(4-fluorophenyl)-2-methyl-4-pyrimidyl ether (649761-34-2)

Guidance literature:

With potassium carbonate; In acetone; for 48h; Heating / reflux;

Reference yield:

5-bromopentyl-6-(4-fluorophenyl)-2-methyl-4-pyrimidyl ether (649761-34-2) + (4R)-hydroxy-(2S)-N-(4-hydroxy-5-methoxy-2-nitrobenzoyl)pyrrolidine-2-carboxaldehyde diethylthioacetal → (4R)-hydroxy-(2S)-N-[{4-[6'-(4''-fluorophenyl)-2'-methylpyrimidine-4'-yloxy]pentoxy}-5-methoxy-2-nitrobenzoyl]pyrrolidine-2-carboxaldehyde diethyl thioacetal

Guidance literature:

With potassium carbonate; In acetone; for 48h; Heating / reflux;

Reference yield:

5-bromopentyl-6-(4-fluorophenyl)-2-methyl-4-pyrimidyl ether (649761-34-2) + (2S)-N-(4-hydroxy-5-methoxy-2-nitrobenzoyl)pyrrolidine-2-carboxaldehyde diethyl thioacetal (140647-02-5) → (2S)-N-[{4-[6'-(4''-fluorophenyl)-2'-methylpyrimidine-4'-yloxy]pentoxy}-5-methoxy-2-nitrobenzoyl]pyrrolidine-2-carboxaldehyde diethyl thioacetal

Guidance literature:

With potassium carbonate; In acetone; for 48h; Heating / reflux;

upstream raw materials:

1,5-dibromo-pentane

4-(4-fluorophenyl)-6-hydroxy-2-methylpyrimidine

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