2-Fluoro-4-methylphenylacetic acid

Base Information

• Chemical Name: 2-Fluoro-4-methylphenylacetic acid
• CAS No.: 518070-28-5
• Molecular Formula: C9H9FO2
• Molecular Weight: 168.16
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID90380964
• Wikidata: Q72474415
• Mol file: 518070-28-5.mol

Synonyms:2-Fluoro-4-methylphenylacetic acid;518070-28-5;2-(2-fluoro-4-methylphenyl)acetic acid;2-Fluoro-4-methylphenylaceticacid;2-fluoror-4-methyl phenylacetic acid;SCHEMBL5545008;DTXSID90380964;JAUQBMIRVXYHIV-UHFFFAOYSA-N;CL9433;MFCD03094329;AKOS015956690;CS-W014299;PS-8728;SB74668;(2-Fluoro-4-methyl-phenyl)-acetic acid;AC-26159;FT-0705079;A21990;EN300-363003

Chemical Property of 2-Fluoro-4-methylphenylacetic acid

Chemical Property:

• Vapor Pressure: 0.00218mmHg at 25°C
• Refractive Index: 1.526
• Boiling Point: 277.4°C at 760 mmHg
• PKA: 4.11±0.10(Predicted)
• Flash Point: 121.6°C
• PSA: 37.30000
• Density: 1.224g/cm³
• LogP: 1.76120
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Slightly Soluble (1.0 g/L) (25°C).
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 168.05865769
• Heavy Atom Count: 12
• Complexity: 170

Purity/Quality:

97% ^*data from raw suppliers

2-Fluoro-4-methylphenylaceticAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)CC(=O)O)F
• Uses: As intermediates. Commonly used laboratory reagent. Used in the field of nanoparticles.

Technology Process of 2-Fluoro-4-methylphenylacetic acid

There total 3 articles about 2-Fluoro-4-methylphenylacetic 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: 87.4%

(2-fluoro-4-methylphenyl)acetaldehyde (1241405-22-0) → 2-(2-fluoro-4-methylphenyl)acetic acid (518070-28-5)

Guidance literature:

(2-fluoro-4-methylphenyl)acetaldehyde; With tripropylammonium fluorochromate (VI); periodic acid; In acetonitrile; at 0 - 20 ℃; for 2h;

With sodium hydrogencarbonate; In dichloromethane; water;

With hydrogenchloride; In dichloromethane; water; pH=Ca. 1;

DOI:10.1021/jm101116s

Reference yield:

2-fluoro-4-methylaniline (452-80-2) → 2-(2-fluoro-4-methylphenyl)acetic acid (518070-28-5)

Guidance literature:

Multi-step reaction with 3 steps

1: hydrogenchloride; sodium nitrate; sodium acetate; copper(II) sulfate; sodium sulfite / water

2: potassium hexamethylsilazane / toluene

3: periodic acid

With hydrogenchloride; sodium nitrate; sodium acetate; potassium hexamethylsilazane; copper(II) sulfate; periodic acid; sodium sulfite; In water; toluene; 2: Wittig Reaction;

Reference yield:

2-fluoro-4-methylbenzaldehyde (146137-80-6) → 2-(2-fluoro-4-methylphenyl)acetic acid (518070-28-5)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium hexamethylsilazane / toluene

2: periodic acid; pyridinium chlorochromate

With potassium hexamethylsilazane; periodic acid; pyridinium chlorochromate; In toluene; 1: |Wittig Olefination;

upstream raw materials:

(2-fluoro-4-methylphenyl)acetaldehyde

2-fluoro-4-methylaniline

2-fluoro-4-methylbenzaldehyde

Downstream raw materials:

methyl (2-fluoro-4-methylphenyl)acetate

methyl 2-(2-fluoro-4-methylphenyl)propanoate

methyl 2-[4-(bromomethyl)-2-fluorophenyl]propanoate

methyl 2-(2-fluoro-4-[(1-methoxycarbonyl-2-oxocyclopentyl)methyl]phenyl)propanoate