3-(3-Fluoro-4-methoxyphenyl)propionic acid

Base Information

• Chemical Name: 3-(3-Fluoro-4-methoxyphenyl)propionic acid
• CAS No.: 69888-90-0
• Molecular Formula: C10H11 F O3
• Molecular Weight: 198.194
• Hs Code.: 2918999090
• European Community (EC) Number: 274-186-9
• DSSTox Substance ID: DTXSID10990165
• Nikkaji Number: J318.078F
• Wikidata: Q82979529
• Mol file: 69888-90-0.mol

Synonyms:3-(3-fluoro-4-methoxyphenyl)propanoic acid;69888-90-0;3-(3-Fluoro-4-methoxyphenyl)propionic acid;EINECS 274-186-9;MFCD06823839;3-Fluoro-4-methoxy-benzenepropanoic acid;SCHEMBL585819;AMY4087;DTXSID10990165;KBFWVRMLCVYIRL-UHFFFAOYSA-N;AKOS000119231;3-Fluoro-4-methoxybenzenepropionic acid;AS-65373;SY035666;CS-0094414;EN300-24194;Y10323;A866724;A1-24009;Z169861818

Chemical Property of 3-(3-Fluoro-4-methoxyphenyl)propionic acid

Chemical Property:

• Vapor Pressure: 0.000123mmHg at 25°C
• Boiling Point: 321.5°C at 760 mmHg
• Flash Point: 148.2°C
• PSA: 46.53000
• Density: 1.226g/cm³
• LogP: 1.85150
• Storage Temp.: 2-8°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 198.06922237
• Heavy Atom Count: 14
• Complexity: 196

Purity/Quality:

98.5% ^*data from raw suppliers

3-(3-fluoro-4-methoxyphenyl)propanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)CCC(=O)O)F

Technology Process of 3-(3-Fluoro-4-methoxyphenyl)propionic acid

There total 7 articles about 3-(3-Fluoro-4-methoxyphenyl)propionic 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: 99.0%

→ 3-(3-fluoro-4-methoxyphenyl)propionic acid (69888-90-0)

Guidance literature:

Reference yield: 66.0%

piperidine (110-89-4) + 3-fluoro-p-anisaldehyde (351-54-2) → 3-(3-fluoro-4-methoxyphenyl)propionic acid (69888-90-0)

Guidance literature:

With pyridine; malonic acid; palladium-carbon; In water; acetic acid;

Reference yield: 66.0%

malonic acid (141-82-2) + 3-fluoro-p-anisaldehyde (351-54-2) → 3-(3-fluoro-4-methoxyphenyl)propionic acid (69888-90-0)

Guidance literature:

malonic acid; 3-fluoro-p-anisaldehyde; With piperidine; In pyridine; at 120 ℃; for 7h;

With hydrogen; 5% palladium over charcoal; In water; acetic acid; at 20 ℃; for 2h;

upstream raw materials:

malonic acid

3-fluoro-p-anisaldehyde

piperidine

3-(3-fluoro-4-methoxyphenyl)acrylic acid

Downstream raw materials:

5-fluoro-6-hydroxyindan-1-one

5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]-1-[(2S)-2-(morpholin-4-yl)propyl]-1H-benzimidazole

5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]-1-[(2R)-2-(morpholin-4-yl)propyl]-1H-benzimidazole

5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(3-fluoro-4-methoxyphenyl)ethyl]-1-[2-(morpholin-4-yl)ethyl]-1H-benzimidazole

Refernces

• 1、 -. "8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE". Page/Page column 58-59. . Retrieved 2012/09/11.
• 2、 -. "Substituted phenylalkanoic acid derivatives and use thereof". Page 59-60. . Retrieved 2008/06/13.