(3-Fluoro-phenoxy)-acetic acid

Base Information

• Chemical Name: (3-Fluoro-phenoxy)-acetic acid
• CAS No.: 404-98-8
• Molecular Formula: C8H7 F O3
• Molecular Weight: 170.14
• Hs Code.: 2918990090
• European Community (EC) Number: 859-394-5
• DSSTox Substance ID: DTXSID00364255
• Nikkaji Number: J135.731J
• Wikidata: Q82148113
• Mol file: 404-98-8.mol

Synonyms:404-98-8;(3-Fluoro-phenoxy)-acetic acid;2-(3-fluorophenoxy)acetic acid;(3-fluorophenoxy)acetic acid;Acetic acid, (3-fluorophenoxy)-;MFCD02295721;3-fluorophenoxyacetic acid;Enamine_004111;3-Fluorophenoxy-acetic acid;2-(3-fluorophenoxy)aceticacid;SCHEMBL1431527;2-(3-fluorophenoxyl)acetic acid;DTXSID00364255;[(3-fluorophenyl)oxy]acetic acid;HMS1405K19;AMY19994;STK950649;AKOS000114538;CS-W002938;AS-10341;SY008331;BB 0256531;FT-0677623;EN300-00073;Z56855767

Chemical Property of (3-Fluoro-phenoxy)-acetic acid

Chemical Property:

• Vapor Pressure: 0.00446mmHg at 25°C
• Melting Point: 113 °C
• Boiling Point: 265.9°Cat760mmHg
• PKA: 3.09±0.10(Predicted)
• Flash Point: 114.6°C
• PSA: 46.53000
• Density: 1.321g/cm³
• LogP: 1.28910
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 170.03792224
• Heavy Atom Count: 12
• Complexity: 160

Purity/Quality:

99%, ^*data from raw suppliers

2-(3-Fluorophenoxy)aceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)F)OCC(=O)O

Technology Process of (3-Fluoro-phenoxy)-acetic acid

There total 7 articles about (3-Fluoro-phenoxy)-acetic 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:

(3-fluoro-phenoxy)-acetic acid ethyl ester (777-70-8) → 3-fluorophenoxyacetic acid (404-98-8)

Guidance literature:

With sodium hydroxide; In acetone; at 20 ℃; for 2h;

DOI:10.1016/j.jfluchem.2005.11.013

Reference yield:

3-fluorophenol (372-20-3) + chloroacetic acid (79-11-8) → 3-fluorophenoxyacetic acid (404-98-8)

Guidance literature:

With sodium hydroxide; at 100 ℃;

DOI:10.1021/ja01248a031

Reference yield:

3-fluorophenol (372-20-3) + ethyl bromoacetate (105-36-2) → 3-fluorophenoxyacetic acid (404-98-8)

Guidance literature:

3-fluorophenol; ethyl bromoacetate; With potassium carbonate; In acetonitrile; at 80 ℃; for 4h;

With water; sodium hydroxide; In ethanol; at 50 ℃; for 4h;

upstream raw materials:

3-fluorophenol

chloroacetic acid

3-fluorophenolate anion

(3-fluoro-phenoxy)-acetic acid ethyl ester

Downstream raw materials:

(5-fluoro-2-nitro-phenoxy)-acetic acid

(2,4-dichloro-5-fluorophenoxy)acetic acid

2-(5-fluoro-2,4-dinitrophenoxy)acetic acid

2-(3-Fluoro-phenoxy)-N-(3-isopropoxy-propyl)-acetamide

Refernces

• 1、 Mo, Wenyan,Shi, Yanxia,He, Junbo,Li, Baoju,Peng, Hao,He, Hongwu. "Synthesis and Biological Activity of Ethyl 4-Alkyl-2-(2-(substituted phenoxy)acetamido)thiazole-5-carboxylate". . p. 183 - 187. Retrieved 2016/02/10.
• 2、 Lim, Chae Jo,Jang, Ju Young,Kim, Sung Hwan,Lee, Byung Ho,Oh, Kwang-Seok,Yi, Kyu Yang. "1,3,4-Thiadiazol-2-amine Derivatives as Urotensin-II Receptor (UT) Antagonists". . p. 2549 - 2552. Retrieved 2015/10/19.