4-Fluoro-2-methoxybenzoic acid

Base Information

• Chemical Name: 4-Fluoro-2-methoxybenzoic acid
• CAS No.: 395-82-4
• Molecular Formula: C8H7FO3
• Molecular Weight: 170.14
• Hs Code.: 29163990
• European Community (EC) Number: 630-039-4
• DSSTox Substance ID: DTXSID70379093
• Nikkaji Number: J3.145.195G
• Wikidata: Q72474013
• Mol file: 395-82-4.mol

Synonyms:4-Fluoro-2-methoxybenzoic acid;395-82-4;2-Methoxy-4-Fluorobenzoic Acid;Benzoic acid, 4-fluoro-2-methoxy-;MFCD00673010;4-fluoro-2-methoxy-benzoic Acid;4-Fluoro-o-anisic Acid;4-Fluoro-2-methoxybenzoicacid;SCHEMBL927338;4-fluoro-2-methoxy benzoic acid;DTXSID70379093;UUQDNAPKWPKHMK-UHFFFAOYSA-N;TD1058;AKOS001260729;AC-3973;CS-W002664;FS-1325;SY030520;4-fluoro-2-methoxybenzoic acid, AldrichCPR;AM20050127;F0680;FT-0654579;A20023;EN300-106621;J-515339;Z203240832

Chemical Property of 4-Fluoro-2-methoxybenzoic acid

Chemical Property:

• Melting Point: 134 °C
• Boiling Point: 266.9 °C at 760 mmHg
• PKA: 4.03±0.10(Predicted)
• Flash Point: 115.2 °C
• PSA: 46.53000
• Density: 1.307 g/cm³
• LogP: 1.53250
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 170.03792224
• Heavy Atom Count: 12
• Complexity: 172

Purity/Quality:

97% ^*data from raw suppliers

4-Fluoro-2-methoxybenzoic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)F)C(=O)O

Technology Process of 4-Fluoro-2-methoxybenzoic acid

There total 5 articles about 4-Fluoro-2-methoxybenzoic 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: 29.8%

1-Fluoro-3-methoxy-4-methylbenzene (95729-22-9) → 4-fluoro-2-methoxy-benzoic acid (395-82-4)

Guidance literature:

With sodium hydroxide; potassium permanganate; for 4.5h; Heating;

DOI:10.1002/ardp.19853180114

Reference yield:

5-fluoro-2-methylphenol (452-85-7) → 4-fluoro-2-methoxy-benzoic acid (395-82-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 73.7 percent / K₂CO₃ / acetone / 5 h / Heating

2: 29.8 percent / KMnO₄, aq. NaOH / 4.5 h / Heating

With sodium hydroxide; potassium permanganate; potassium carbonate; In acetone;

DOI:10.1002/ardp.19853180114

Reference yield:

4-fluoro-2-methoxybenzaldehyde (450-83-9) → 4-fluoro-2-methoxy-benzoic acid (395-82-4)

Guidance literature:

With alkaline permanganate;

DOI:10.1039/jr9290001639

upstream raw materials:

4-fluoro-2-methoxybenzaldehyde

1-Fluoro-3-methoxy-4-methylbenzene

5-fluoro-2-methylphenol

3-fluorophenol

Downstream raw materials:

4-fluorosalicylic acid

2-(4-Fluoro-2-methoxy-phenyl)-3H-imidazo[4,5-c]pyridine; hydrochloride

4-fluoro-2-methoxy-6-methylbenzoic acid

4-fluoro-2-methoxy-5-methyl-benzoic acid