2-Fluoro-5-methylbenzoic acid

Base Information

• Chemical Name: 2-Fluoro-5-methylbenzoic acid
• CAS No.: 321-12-0
• Molecular Formula: C8H7FO2
• Molecular Weight: 154.141
• Hs Code.: 29163990
• Mol file: 321-12-0.mol

Synonyms:m-Toluicacid, 6-fluoro- (6CI,7CI,8CI);6-Fluoro-m-toluicacid;NSC 51779;Benzoicacid, 2-fluoro-5-methyl-;

Chemical Property of 2-Fluoro-5-methylbenzoic acid

Chemical Property:

• Vapor Pressure: 0.0067mmHg at 25°C
• Melting Point: 160-162 °C(lit.)
• Refractive Index: 1.532
• Boiling Point: 259.219 °C at 760 mmHg
• PKA: 3.34±0.10(Predicted)
• Flash Point: 110.572 °C
• PSA: 37.30000
• Density: 1.259 g/cm³
• LogP: 1.83230
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

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

2-Fluoro-5-methylbenzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Technology Process of 2-Fluoro-5-methylbenzoic acid

There total 4 articles about 2-Fluoro-5-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:

p-fluorotoluene (352-32-9) → 2-fluoro-5-methyl-benzoic acid (321-12-0)

Guidance literature:

With tetrahydrofuran; n-butyllithium; at -50 ℃; anschliessend Behandeln mit festem CO₂ in Aether;

DOI:10.1021/jo01363a621

Reference yield:

2-fluoro-5-methylbenzonitrile (64113-84-4) → 2-fluoro-5-methyl-benzoic acid (321-12-0)

Guidance literature:

With sulfuric acid; at 150 ℃; for 0.5h;

DOI:10.1016/S0960-894X(99)00564-8

Reference yield:

p-fluorotoluene (352-32-9) + carbon dioxide (124-38-9,18923-20-1) → 2-fluoro-5-methyl-benzoic acid (321-12-0)

Guidance literature:

Multistep reaction; (i) tBu₂PLi, THF, (ii) /BRN= 1900390/, (iii) aq. HCl;

upstream raw materials:

p-fluorotoluene

carbon dioxide

3-bromo-4-fluorotoluene

2-fluoro-5-methylbenzonitrile

Downstream raw materials:

C₂₀H₁₈ClFN₄O

C₂₅H₂₇NO₂

C₂₃H₂₁Cl₂NO₂

tert-butyl 4-(2-fluoro-5-methylbenzoyl)-3-(hydroxymethyl)piperazine-1-carboxylate

Refernces

• 1、 Bridges,Lee,Maduakor,Schwartz. "Fluorine as an ortho-directing group in aromatic metalation: Generality of the reaction and the high position of fluorine in the Dir-Met potency scale". . p. 7495 - 7498. Retrieved 2007/10/02.