2-Fluoro-5-methoxybenzoic acid

Base Information

• Chemical Name: 2-Fluoro-5-methoxybenzoic acid
• CAS No.: 367-83-9
• Molecular Formula: C8H7FO3
• Molecular Weight: 170.14
• Hs Code.: 2918990090
• European Community (EC) Number: 630-006-4
• DSSTox Substance ID: DTXSID50379091
• Wikidata: Q72474718
• Mol file: 367-83-9.mol

Synonyms:2-Fluoro-5-methoxybenzoic acid;367-83-9;2-fluoro-5-methoxy-benzoic Acid;Benzoic acid, 2-fluoro-5-methoxy-;MFCD00272566;2-Fluoro-5-methoxybenzoicacid;SCHEMBL395640;6-Fluoro-3-methoxybenzoic acid;DTXSID50379091;REDSLTKMNCCQBC-UHFFFAOYSA-N;2-fluoro-5-(methyloxy)benzoic acid;BBL103018;CK2244;STL556827;AKOS006228396;AC-3970;CS-W008479;PS-8706;SY106763;2-fluoro-5-methoxybenzoic acid, AldrichCPR;FT-0651849;EN300-97683;A20020;F8881-2461

Chemical Property of 2-Fluoro-5-methoxybenzoic acid

Chemical Property:

• Vapor Pressure: 0.000429mmHg at 25°C
• Melting Point: 146-150 °C
• Refractive Index: 1.524
• Boiling Point: 302.7 °C at 760 mmHg
• PKA: 3.15±0.10(Predicted)
• Flash Point: 136.9 °C
• PSA: 46.53000
• Density: 1.307 g/cm³
• LogP: 1.53250
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.9
• 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:

98%,99%, ^*data from raw suppliers

2-Fluoro-5-methoxybenzoicAcid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1)F)C(=O)O
• Uses: 2-Fluoro-5-methoxybenzoic acid is used as an organic chemical synthesis intermediate.

Technology Process of 2-Fluoro-5-methoxybenzoic acid

There total 7 articles about 2-Fluoro-5-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: 99.0%

methyl 2-fluoro-5-methoxybenzoate (96826-42-5) → 2-fluoro-5-methoxybenzoic acid (367-83-9)

Guidance literature:

With lithium hydroxide; In tetrahydrofuran; methanol; water; at 20 ℃;

DOI:10.1021/acs.jmedchem.8b01483

Reference yield: 80.0%

1-fluoro-4-methoxybenzene (459-60-9) + carbon dioxide (124-38-9,18923-20-1) → 2-fluoro-5-methoxybenzoic acid (367-83-9)

Guidance literature:

1-fluoro-4-methoxybenzene; With n-butyllithium; N,N,N',N',N''-pentamethylethylenetriamine; In tetrahydrofuran; hexane; at -78 ℃; for 2h;

carbon dioxide; In tetrahydrofuran; hexane; at -78 - 20 ℃;

DOI:10.1021/jo062148s

Reference yield: 51.0%

4-fluoro-3-methylanisol (2338-54-7) → 2-fluoro-5-methoxybenzoic acid (367-83-9)

Guidance literature:

With potassium permanganate; In pyridine; water; at 50 ℃; for 2h;

DOI:10.1021/jm00371a004

upstream raw materials:

1-fluoro-4-methoxybenzene

carbon dioxide

4-fluoro-3-methylanisol

2-methyl-4-methoxyaniline

Downstream raw materials:

C₁₀H₁₂FNO₂

C₁₄H₁₂FNO₂

C₁₅H₁₄FNO₂

ethyl 2-fluoro-5-methoxybenzoate

Refernces

• 1、 -. "ANILINE DERIVATIVES,THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION". Page/Page column 61; 62. . Retrieved 2013/03/28.
• 2、 -. "2,3-DIHYDRO-ISOINDOL-1-ONES WITH MAO-B INHIBITING ACTIVITY". Page 21. . Retrieved 2010/02/06.