3-(3-Fluoro-2-methylphenyl)prop-2-enoic acid

Base Information

• Chemical Name: 3-(3-Fluoro-2-methylphenyl)prop-2-enoic acid
• CAS No.: 155814-23-6
• Molecular Formula: C10H9FO2
• Molecular Weight: 180.17600
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID90709277
• Mol file: 155814-23-6.mol

Synonyms:3-(3-Fluoro-2-methylphenyl)prop-2-enoic acid;DTXSID90709277;NZDLRLIWXWVPES-UHFFFAOYSA-N;AKOS028114907

Chemical Property of 3-(3-Fluoro-2-methylphenyl)prop-2-enoic acid

Chemical Property:

• PSA: 37.30000
• LogP: 2.23190
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 180.05865769
• Heavy Atom Count: 13
• Complexity: 213

Purity/Quality:

99.90% ^*data from raw suppliers

3-Fluoro-2-methylcinnamic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC=C1F)C=CC(=O)O
• Uses: 3-Fluoro-2-methylcinnamic Acid is used in the preparation of antidepressants. 3-Fluoro-2-methylcinnamic Acid is also used in the preparation of arylvinylxanthines as selective A2 receptor antagonists.

Technology Process of 3-(3-Fluoro-2-methylphenyl)prop-2-enoic acid

There total 2 articles about 3-(3-Fluoro-2-methylphenyl)prop-2-enoic 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: 40.0%

malonic acid (141-82-2) + 3-fluoro-2-methylbenzaldehyde (147624-13-3) → 3-fluoro-2-methylcinnamic acid (155814-23-6)

Guidance literature:

With piperidine; In toluene; for 22h; Heating / reflux;

Reference yield:

3-fluoro-2-methylbenzaldehyde (147624-13-3) → 3-fluoro-2-methylcinnamic acid (155814-23-6)

Guidance literature:

With piperidine; pyridine; at 90 ℃;

DOI:10.2174/1570180811666140812231519

Reference yield:

3-fluoro-2-methylcinnamic acid (155814-23-6) → C10H8ClFO

Guidance literature:

With oxalyl dichloride; In dichloromethane; at 20 ℃;

DOI:10.2174/1570180811666140812231519

upstream raw materials:

malonic acid

3-fluoro-2-methylbenzaldehyde

Downstream raw materials:

C₁₀H₁₃FO

C₁₀H₁₂FN₃

C₁₁H₁₅FO₃S

3-(2-methyl-3-fluorophenyl)-1-propylamine, AcOH salt

Refernces

• 1、 -. "Bicyclic cyclohexylamines and their use as nmda receptor antagonists". Page 52. . Retrieved 2010/02/06.