2-Fluoropropionic acid

Base Information

• Chemical Name: 2-Fluoropropionic acid
• CAS No.: 6087-13-4
• Molecular Formula: C₃H₅FO₂
• Molecular Weight: 92.0699
• Hs Code.: 29159000
• European Community (EC) Number: 633-145-9
• NSC Number: 84352
• DSSTox Substance ID: DTXSID80292648
• Nikkaji Number: J132.260E
• Mol file: 6087-13-4.mol

Synonyms:2-Fluoropropionic acid;6087-13-4;2-fluoropropanoic acid;2-fluoropropionicacid;Propanoic acid, 2-fluoro-;MFCD06247714;NSC84352;2-Fluoropropionic'Acid;2-Fluoropropionic acid, 97%;AMY5967;DTXSID80292648;ZVZPFTCEXIGSHM-UHFFFAOYSA-N;BBL102664;NSC-84352;STL556468;AKOS005258997;CS-0180920;FT-0677162;N12158;J-509519;F2147-5479;METHYL(Z)-2-BENZOYLAMINO-3-DIMETHYLAMINOPROPENOATE

Chemical Property of 2-Fluoropropionic acid

Chemical Property:

• Vapor Pressure: 1.14mmHg at 25°C
• Refractive Index: n20/D 1.383
• Boiling Point: 86-87/35mm
• PKA: 2.68±0.10(Predicted)
• Flash Point: 82 ºC
• PSA: 37.30000
• Density: 1.181
• LogP: 0.42900
• Water Solubility.: Partly miscible in water.
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 92.02735756
• Heavy Atom Count: 6
• Complexity: 61.8

Purity/Quality:

99% ^*data from raw suppliers

2-Fluoropropionic Acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C,Xi
• Statements: 22-34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C(=O)O)F
• Uses: 2-Fluoropropionic acid is used in the medical field for diagnostic purposes. It is labeled with 18F and is used as an imaging agent for detecting prostate cancer in humans. It is also used to prepare 2-fluoro fatty acids, compounds that exhibit antifungal properties.

Technology Process of 2-Fluoropropionic acid

There total 14 articles about 2-Fluoropropionic 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: 91.0%

ethyl 2-fluoropropionate (349-43-9,127306-59-6) → 2-fluoropropanoic acid (57965-29-4,75244-22-3,105229-18-3,6087-13-4)

Guidance literature:

With sodium hydroxide; In ethanol; water; for 1h; Reflux;

DOI:10.1021/acsmedchemlett.6b00467

Reference yield: 90.0%

methyl 2-fluoropropanoate (2366-56-5) → 2-fluoropropanoic acid (57965-29-4,75244-22-3,105229-18-3,6087-13-4)

Guidance literature:

With formic acid;

DOI:10.1016/S0040-4039(00)60570-1

Reference yield: 90.0%

2-Fluoro-propionic acid isopropyl ester (114435-93-7) → 2-fluoropropanoic acid (57965-29-4,75244-22-3,105229-18-3,6087-13-4)

Guidance literature:

With formic acid;

DOI:10.1016/S0040-4039(00)60570-1

upstream raw materials:

2-Fluoropropanamide

2-fluoro-propionitrile

diethyl 2-methyl-2-fluoromalonate

rac-Ala-OH

Downstream raw materials:

C₉H₁₁FN₂O

C₅₇H₇₅FN₄O₁₀S₂

4-nitrophenyl 2-fluoropropionate

Refernces

• 1、 Keller, Max,Maschauer, Simone,Brennauer, Albert,Tripal, Philipp,Koglin, Norman,Dittrich, Ralf,Bernhardt, Günther,Kuwert, Torsten,Wester, Hans-Jürgen,Buschauer, Armin,Prante, Olaf. "Prototypic 18F-Labeled Argininamide-Type Neuropeptide Y Y1R Antagonists as Tracers for PET Imaging of Mammary Carcinoma". supporting information. p. 304 - 309. Retrieved 2017/03/17.
• 2、 Hao, Lan-Hu,Li, Yan-Ping,He, Wei-Ying,Wang, Hui-Qiang,Shan, Guang-Zhi,Jiang, Jian-Dong,Li, Yu-Huan,Li, Zhuo-Rong. "Synthesis and antiviral activity of substituted bisaryl amide compounds as novel influenza virus inhibitors". . p. 117 - 124. Retrieved 2012/11/07.