3-Fluoro-4-methylphenylacetic acid

Base Information

• Chemical Name: 3-Fluoro-4-methylphenylacetic acid
• CAS No.: 261951-74-0
• Molecular Formula: C9H9FO2
• Molecular Weight: 168.168
• Hs Code.: 2918290090
• European Community (EC) Number: 670-726-6
• DSSTox Substance ID: DTXSID30379130
• Wikidata: Q69757025
• Mol file: 261951-74-0.mol

Synonyms:3-Fluoro-4-methylphenylacetic acid;261951-74-0;2-(3-fluoro-4-methylphenyl)acetic acid;(3-fluoro-4-methylphenyl)acetic acid;Benzeneacetic acid, 3-fluoro-4-methyl-;MFCD01631536;SCHEMBL283594;DTXSID30379130;YECYDEGFKJWADM-UHFFFAOYSA-N;CL9109;AKOS005258573;2-(3-fluoro-4-methylphenyl)aceticacid;FS-1098;(3-fluoro-4-methyl-phenyl)-acetic acid;FT-0676199;A21988;EN300-1137691;(3-Fluoro-4-methylphenyl)acetic acid, AldrichCPR

Chemical Property of 3-Fluoro-4-methylphenylacetic acid

Chemical Property:

• Vapor Pressure: 0.003mmHg at 25°C
• Melting Point: 104-107℃
• Refractive Index: 1.526
• Boiling Point: 272.3 °C at 760 mmHg
• PKA: 4.19±0.10(Predicted)
• Flash Point: 118.5 °C
• PSA: 37.30000
• Density: 1.224 g/cm³
• LogP: 1.76120
• Storage Temp.: Sealed in dry,Room Temperature
• 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:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)CC(=O)O)F

Technology Process of 3-Fluoro-4-methylphenylacetic acid

There total 1 articles about 3-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: 11.0%

→ 2-(3-fluoro-4-methylphenyl)acetic acid (261951-74-0)

Guidance literature:

With potassium phosphate; tri-1-napthylphosphine; palladium diacetate; tris-(o-tolyl)phosphine; In tetrahydrofuran; at 20 ℃; Sealed tube; Inert atmosphere;

With lithium hydroxide; In tetrahydrofuran; at 20 ℃;

Reference yield: 74.0%

3-(5-aminomethyl-2-methyl-4-oxo-4H-quinazolin-3-yl)-piperidine-2,6-dione hydrochloride + 2-(3-fluoro-4-methylphenyl)acetic acid (261951-74-0) → N-[3-(2,6-dioxo-piperidin-3-yl)-2-methyl-4-oxo-3,4-dihydro-quinazolin-5-ylmethyl]-2-(3-fluoro-4-methyl-phenyl)-acetamide

Guidance literature:

2-(3-fluoro-4-methylphenyl)acetic acid; With 1,1'-carbonyldiimidazole; In N,N-dimethyl-formamide; at 40 ℃; for 1h;

3-(5-aminomethyl-2-methyl-4-oxo-4H-quinazolin-3-yl)-piperidine-2,6-dione hydrochloride; In N,N-dimethyl-formamide; for 0.25h;

Reference yield: 70.0%

4-aminomethyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione hydrochloride salt (444287-40-5) + 2-(3-fluoro-4-methylphenyl)acetic acid (261951-74-0) → N-[2-(2,6-dioxo-piperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-ylmethyl]-2-(3-fluoro-4-methyl-phenyl)-acetamide (927672-10-4)

Guidance literature:

4-aminomethyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione hydrochloride salt; With 1,8-diazabicyclo[5.4.0]undec-7-ene; In acetonitrile; for 0.166667h;

2-(3-fluoro-4-methylphenyl)acetic acid; With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In acetonitrile; at 20 ℃;

Downstream raw materials:

Methyl (3-fluoro-4-methylphenyl)acetate

N-[2-(2,6-dioxo-piperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-ylmethyl]-2-(3-fluoro-4-methyl-phenyl)-acetamide

Refernces