Benzoic acid, 2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-6-fluoro-

Base Information

• Chemical Name: Benzoic acid, 2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-6-fluoro-
• CAS No.: 113761-79-8
• Molecular Formula: C13H11FN2O5
• Molecular Weight: 294.239
• DSSTox Substance ID: DTXSID90398842
• Nikkaji Number: J752.976G
• Wikidata: Q82201057
• ChEMBL ID: CHEMBL2289342

Synonyms:113761-79-8;2-((4,6-Dimethoxypyrimidin-2-yl)oxy)-6-fluorobenzoic acid;Peakdale1_000067;Benzoic acid, 2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-6-fluoro-;2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-fluorobenzoic acid;SCHEMBL9223212;CHEMBL2289342;HMS518D01;DTXSID90398842;OHDXBNAFHWENIQ-UHFFFAOYSA-N;SR-01000385190;SR-01000385190-1;6-(4,6-dimethoxypyrimidin-2-yl)oxy-2-fluorobenzoic acid;6-Fluoro-2-[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid

Chemical Property of Benzoic acid, 2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-6-fluoro-

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 294.06519962
• Heavy Atom Count: 21
• Complexity: 348

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=NC(=N1)OC2=C(C(=CC=C2)F)C(=O)O)OC

Technology Process of Benzoic acid, 2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-6-fluoro-

There total 1 articles about Benzoic acid, 2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-6-fluoro- 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:

methyl 2-(4,6-dimethoxypyrimidin-2-yl)-oxy-6-fluorobenzoate → 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-fluorobenzoic acid (113761-79-8)

Guidance literature:

With sodium hydroxide; In ethanol;

Reference yield: 53.0%

2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-fluorobenzoic acid (113761-79-8) + propargyl alcohol (107-19-7) → propargyl 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-fluorobenzoate

Guidance literature:

With potassium carbonate; 1,1'-carbonyldiimidazole; In tetrahydrofuran;

Reference yield:

2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-fluorobenzoic acid (113761-79-8) + 2-(Trimethylsilyl)ethanol (2916-68-9) → 2-(trimethylsilyl)ethyl 6-(4,6-dimethoxypyrimidin-2-yl)oxy-2-fluorobenzoate

Guidance literature:

With potassium carbonate; 1,1'-carbonyldiimidazole; In tetrahydrofuran;

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