2-Fluoro-4-methylbenzoic acid

Base Information

• Chemical Name: 2-Fluoro-4-methylbenzoic acid
• CAS No.: 7697-23-6
• Molecular Formula: C8H7FO2
• Molecular Weight: 154.141
• Hs Code.: 29163990
• European Community (EC) Number: 630-126-7
• DSSTox Substance ID: DTXSID40371160
• Nikkaji Number: J3.451.420H
• Wikidata: Q72474458
• Mol file: 7697-23-6.mol

Synonyms:2-Fluoro-4-MethylbenzoicAcid;2-Fluoro-4-methyl benzoic acid;2-Fluoro-p-toluic acid;Benzoic acid, 2-fluoro-4-methyl-;

Chemical Property of 2-Fluoro-4-methylbenzoic acid

Chemical Property:

• Vapor Pressure: 21mmHg at 25°C
• Melting Point: 186-189 °C
• Refractive Index: 1.404
• Boiling Point: 271.7 °C at 760 mmHg
• PKA: 3.44±0.10(Predicted)
• Flash Point: 118.1 °C
• PSA: 37.30000
• Density: 1.258 g/cm³
• LogP: 1.83230
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 154.04300762
• Heavy Atom Count: 11
• Complexity: 158

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)C(=O)O)F
• Uses: 2-Fluoro-4-methylbenzoic Acid is a useful reagent for preparing tubulin inhibitors for antitumor agents.

Technology Process of 2-Fluoro-4-methylbenzoic acid

There total 12 articles about 2-Fluoro-4-methylbenzoic 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: 86.0%

C16H16N3O2Pol → 2-fluoro-4-methylbenzoic Acid (7697-23-6)

Guidance literature:

With tetrafluoroboric acid diethyl ether; In tetradecafluorohexane; at 80 ℃; for 12h; Autoclave; solid phase reaction;

DOI:10.1002/anie.201001507

Reference yield: 72.0%

→ 2-fluoro-4-methylbenzoic Acid (7697-23-6)

Guidance literature:

Reference yield: 45.0%

m-Fluorotoluene (352-70-5) + potassium tert-butylate (865-47-4) → 2-fluoro-4-methylbenzoic Acid (7697-23-6)

Guidance literature:

With tert.-butyl lithium; In tetrahydrofuran; pentane; at -78 ℃; for 2.5h;

upstream raw materials:

2-fluoro-1,4-dimethylbenzene

carbon dioxide

m-Fluorotoluene

4-bromo-3-fluorotoluene

Downstream raw materials:

4-(bromomethyl)-2-fluorobenzoic acid

5-Fluoro-2-(2-fluoro-4-methyl-phenyl)-benzothiazole

2-(4-Bromomethyl-2-fluoro-phenyl)-5-fluoro-benzothiazole

N-(2,5-Difluoro-phenyl)-2-fluoro-4-methyl-thiobenzamide