2-(2-Fluorophenoxy)butanoic acid

Base Information

• Chemical Name: 2-(2-Fluorophenoxy)butanoic acid
• CAS No.: 161790-23-4
• Molecular Formula: C₁₀H₁₁FO₃
• Molecular Weight: 198.194
• DSSTox Substance ID: DTXSID201302475
• Mol file: 161790-23-4.mol

Synonyms:2-(2-fluorophenoxy)butanoic acid;2-(2-Fluoro-phenoxy)-butyric acid;161790-23-4;SCHEMBL6234211;DLYKJZCWTHWNBH-UHFFFAOYSA-N;DTXSID201302475;MFCD02295735;STK863141;AKOS000102267;AKOS016340758;(2RS)-2-(2-fluorophenoxy)butyric acid;BB 0216560;CS-0447613;EN300-99457;Z96139785

Chemical Property of 2-(2-Fluorophenoxy)butanoic acid

Chemical Property:

• Boiling Point: 306.8±17.0 °C(Predicted)
• PKA: 3.14±0.10(Predicted)
• Density: 1.222±0.06 g/cm3(Predicted)
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 198.06922237
• Heavy Atom Count: 14
• Complexity: 196

Purity/Quality:

98%min ^*data from raw suppliers

2-(2-fluorophenoxy)butanoicAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

Useful:

• Canonical SMILES: CCC(C(=O)O)OC1=CC=CC=C1F

Technology Process of 2-(2-Fluorophenoxy)butanoic acid

There total 7 articles about 2-(2-Fluorophenoxy)butanoic acid 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:

(2Z)-2-(2-fluorophenoxy)but-2-enoic acid (763084-46-4) → 2-fluorophenol (367-12-4) + (2R)-2-(2-fluorophenoxy)butanoic acid (161790-23-4) + (2S)-2-(2-fluorophenoxy)butanoic acid (161790-23-4)

Guidance literature:

With hydrogen; triethylamine; RuCl₂[(S)-BINAP]; In methanol; at 25 ℃; for 20h; under 4654.33 Torr; Title compound not separated from byproducts;

DOI:10.1021/ol0488035

Reference yield:

(2Z)-2-(2-fluorophenoxy)but-2-enoic acid (763084-46-4) → 2-fluorophenol (367-12-4) + (2R)-2-(2-fluorophenoxy)butanoic acid (161790-23-4) + (2S)-2-(2-fluorophenoxy)butanoic acid (161790-23-4)

Guidance literature:

With hydrogen; triethylamine; RuCl₂[(S)-BINAP]; In methanol; at 25 ℃; for 20h; under 4654.33 Torr; Title compound not separated from byproducts;

DOI:10.1021/ol0488035

Reference yield:

2-fluorophenol (367-12-4) → (2R)-2-(2-fluorophenoxy)butanoic acid (161790-23-4)

Guidance literature:

Multi-step reaction with 3 steps

1: K₂CO₃ / acetonitrile / 16 h / 80 °C

2: KOH / H₂O / 20 h / 22 °C

3: Et₃N; H₂ / [(S)-BINAP]RuCl₂ / methanol / 20 h / 25 °C / 4654.33 Torr

With potassium hydroxide; hydrogen; potassium carbonate; triethylamine; RuCl₂[(S)-BINAP]; In methanol; water; acetonitrile;

DOI:10.1021/ol0488035

upstream raw materials:

(2Z)-2-(2-fluorophenoxy)but-2-enoic acid

2-fluorophenol