3-Pyridinecarboxamide, 2-(4-fluorophenoxy)-N-((4-(1-hydroxy-1-methylethyl)phenyl)methyl)-

Base Information

• Chemical Name: 3-Pyridinecarboxamide, 2-(4-fluorophenoxy)-N-((4-(1-hydroxy-1-methylethyl)phenyl)methyl)-
• CAS No.: 214535-77-0
• Molecular Formula: C₂₂H₂₁FN₂O₃
• Molecular Weight: 380.419
• UNII: 5A83419M4U
• DSSTox Substance ID: DTXSID2047278
• Wikidata: Q27261741
• ChEMBL ID: CHEMBL3184398
• Mol file: 214535-77-0.mol

Synonyms:CP-457677;214535-77-0;3-Pyridinecarboxamide, 2-(4-fluorophenoxy)-N-((4-(1-hydroxy-1-methylethyl)phenyl)methyl)-;5A83419M4U;DTXSID2047278;UNII-5A83419M4U;SCHEMBL3086802;CHEMBL3184398;DTXCID0027278;UHBUSMAHWHZQKS-UHFFFAOYSA-N;Tox21_300442;AKOS040751280;2-(4-fluorophenoxy)-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]pyridine-3-carboxamide;NCGC00248044-01;NCGC00254513-01;CAS-214535-77-0;Q27261741

Chemical Property of 3-Pyridinecarboxamide, 2-(4-fluorophenoxy)-N-((4-(1-hydroxy-1-methylethyl)phenyl)methyl)-

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 380.15362070
• Heavy Atom Count: 28
• Complexity: 500

Purity/Quality:

>98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C1=CC=C(C=C1)CNC(=O)C2=C(N=CC=C2)OC3=CC=C(C=C3)F)O

Technology Process of 3-Pyridinecarboxamide, 2-(4-fluorophenoxy)-N-((4-(1-hydroxy-1-methylethyl)phenyl)methyl)-

There total 2 articles about 3-Pyridinecarboxamide, 2-(4-fluorophenoxy)-N-((4-(1-hydroxy-1-methylethyl)phenyl)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:

C22H19FN2O4 + methylmagnesium bromide (75-16-1) → 2-(4-fluorophenoxy)-N-[4-(1-hydroxy-1-methylethyl)benzyl]nicotinamide (214535-77-0) + C43H38F2N4O6

Guidance literature:

In tetrahydrofuran; at -10 ℃; Temperature;

DOI:10.1021/op025597c

Reference yield:

→ 2-(4-fluorophenoxy)-N-[4-(1-hydroxy-1-methylethyl)benzyl]nicotinamide (214535-77-0)

Guidance literature:

upstream raw materials:

methylmagnesium bromide