4-Fluoro-3,5-dimethylbenzoic acid

Base Information

• Chemical Name: 4-Fluoro-3,5-dimethylbenzoic acid
• CAS No.: 120512-59-6
• Molecular Formula: C₉H₉FO₂
• Molecular Weight: 168.168
• Hs Code.: 2916399090
• European Community (EC) Number: 842-285-1
• Wikidata: Q106902770
• Mol file: 120512-59-6.mol

Synonyms:4-Fluoro-3,5-dimethylbenzoic acid;120512-59-6;SCHEMBL7827636;4-Fluoro-3,5-dimethylbenzoicacid;MIKQQYBBVDHPST-UHFFFAOYSA-N;VEA51259;MFCD00184969;AKOS010017191;JS-4458;CS-0193276;EN300-45418;W18456;Z527397744

Chemical Property of 4-Fluoro-3,5-dimethylbenzoic acid

Chemical Property:

• Melting Point: 165-167°C
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 168.05865769
• Heavy Atom Count: 12
• Complexity: 169

Purity/Quality:

99% ^*data from raw suppliers

4-Fluoro-3,5-dimethylbenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1F)C)C(=O)O
• Uses: 4-Fluoro-3,5-dimethylbenzoic acid is a useful reactant used for the preparation of [1,?2,?4]?Triazolo[1,?5-?a]?pyrimidine derivatives as PDE2 inhibitors.

Technology Process of 4-Fluoro-3,5-dimethylbenzoic acid

There total 1 articles about 4-Fluoro-3,5-dimethylbenzoic 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:

→ 4-fluoro-3,5-dimethylbenzoic acid (120512-59-6)

Guidance literature:

Reference yield:

4-fluoro-3,5-dimethylbenzoic acid (120512-59-6) → 4-fluoro-3,5-dimethylbenzoyl chloride (886501-66-2)

Guidance literature:

With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; at 20 ℃; Inert atmosphere;

Reference yield:

4-fluoro-3,5-dimethylbenzoic acid (120512-59-6) → 4-fluoro-N-(4-isopropylphenylethyl)-3,5-dimethylbenzamide

Guidance literature:

Multi-step reaction with 2 steps

1: N,N-dimethyl-formamide; oxalyl dichloride / dichloromethane / 20 °C / Inert atmosphere

2: pyridine / dichloromethane / 12 h / 20 °C / Inert atmosphere; Cooling with ice

With pyridine; oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane;

Downstream raw materials:

4-fluoro-3,5-dimethylbenzoyl chloride