12-Fluorododecanoic acid

Base Information

• Chemical Name: 12-Fluorododecanoic acid
• CAS No.: 593-11-3
• Molecular Formula: C12H23FO2
• Molecular Weight: 218.3082
• NSC Number: 665967
• UNII: C8B3FGK6K3
• DSSTox Substance ID: DTXSID60208020
• Nikkaji Number: J42.967H
• Wikidata: Q83082089
• Mol file: 593-11-3.mol

Synonyms:12-Fluorododecanoic acid;593-11-3;DODECANOIC ACID, 12-FLUORO-;omega-Fluorododecanoic acid;NSC 665967;BRN 1771587;C8B3FGK6K3;NSC665967;NSC-665967;starbld0044941;UNII-C8B3FGK6K3;SCHEMBL8863679;DTXSID60208020;LS-63497

Chemical Property of 12-Fluorododecanoic acid

Chemical Property:

• Vapor Pressure: 4.85E-05mmHg at 25°C
• Boiling Point: 324.8°Cat760mmHg
• Flash Point: 150.2°C
• PSA: 37.30000
• Density: 0.963g/cm³
• LogP: 3.94150
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 11
• Exact Mass: 218.16820813
• Heavy Atom Count: 15
• Complexity: 149

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C(CCCCCC(=O)O)CCCCCF

Technology Process of 12-Fluorododecanoic acid

There total 14 articles about 12-Fluorododecanoic 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: 95.0%

methyl 12-fluorododecanoate (151276-34-5) → 12-fluorododecanoic acid (593-11-3)

Guidance literature:

With lithium hydroxide monohydrate; In tetrahydrofuran; methanol; water; at 20 ℃; for 4h;

DOI:10.1002/chem.201302402

Reference yield:

p-toluenesulfonyl chloride (98-59-9) → 12-fluorododecanoic acid (593-11-3)

Guidance literature:

With potassium hydroxide; tetrabutyl ammonium fluoride; In tetrahydrofuran; pyridine; hydrochloric acid-methanol; water; water ethanol; acetonitrile;

Reference yield:

12-iodododecan-1-oic acid (71736-19-1) → 11-dodecenoic acid (65423-25-8) + 12-fluorododecanoic acid (593-11-3)

Guidance literature:

With tetrabutyl ammonium fluoride; In dimethyl sulfoxide; at 20 ℃; for 4h; Title compound not separated from byproducts.;

DOI:10.1055/s-2006-950204

upstream raw materials:

12-fluoro-dodecanenitrile

methyl 12-fluorododecanoate

12-iodododecan-1-oic acid

12-bromododecanoic acid

Refernces

• 1、 Berube, Marie,Kamal, Fatima,Roy, Jenny,Poirier, Donald. "A dehydrohalogenation methodology for synthesizing terminal olefins under mild conditions". . p. 3085 - 3091. Retrieved 2008/02/08.
• 2、 -. "Spicamycin derivatives and their use as anticancer agents". . . Retrieved 2008/06/13.