3-Fluoropropene

Base Information

• Chemical Name: 3-Fluoropropene
• CAS No.: 818-92-8
• Molecular Formula: C3H5F
• Molecular Weight: 60.0711
• Hs Code.: 2903590090
• European Community (EC) Number: 212-459-6
• UNII: M8N8C77QY3
• DSSTox Substance ID: DTXSID20231374
• Nikkaji Number: J7.116A
• Wikidata: Q83112295
• Mol file: 818-92-8.mol

Synonyms:Allyl fluoride;3-Fluoropropene;3-fluoroprop-1-ene;818-92-8;1-Propene, 3-fluoro-;3-Fluoro-1-propene;Propene, 3-fluoro-;EINECS 212-459-6;ALLYLFLUORIDE;C3H5F;3-Fluoropropylene;1-Fluoro-2-propene;3-fluoranylprop-1-ene;CH2=CHCH2F;M8N8C77QY3;DTXSID20231374;MFCD00069109;AKOS006230427;FT-0622023;EN300-1853191;A840213

Chemical Property of 3-Fluoropropene

Chemical Property:

• Vapor Pressure: 1940mmHg at 25°C
• Refractive Index: 1.3800
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 0.00000
• Density: 0.764g/cm³
• LogP: 1.14190
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 60.037528322
• Heavy Atom Count: 4
• Complexity: 17.2

Purity/Quality:

98%Min ^*data from raw suppliers

Allyl fluoride 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F
• Statements: 12
• Safety Statements: 16-33

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCF

Technology Process of 3-Fluoropropene

There total 21 articles about 3-Fluoropropene 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: 92.0%

allyl bromide (106-95-6) → 3-fluoropropene (818-92-8)

Guidance literature:

With potassium fluoride; In diethylene glycol; at 120 ℃;

Reference yield: 85.0%

allyl fluorosulfonyldifluoroacetate (113591-64-3) → 3-fluoropropene (818-92-8) + 4,4,4-trifluorobutene (1524-26-1)

Guidance literature:

With copper(l) iodide; In N,N-dimethyl-formamide; at 50 ℃; for 4h;

DOI:10.1039/P19940000725

Reference yield: 72.0%

allyl bromide (106-95-6) + tetramethylammonium trifluoromethoxide → allyl iodid (556-56-9) + 3-fluoropropene (818-92-8) + allyl trifluoromethyl ether (140899-21-4)

Guidance literature:

With tertamethylammonium iodide; In N,N-dimethyl-formamide; at 60 ℃; for 72h;

upstream raw materials:

allyl iodid

allyl bromide

1,3-dibromo-propane

allyl alcohol

Downstream raw materials:

N-(Benzyloxycarbonyl)allylamine

1,2-Dibrom-3-fluor-propan

epifluorohydrine

2-hydroperoxypropane

Refernces

• 1、 Van Der Veken. "Conformational stability of 3-fiuoropropene in rare gas solutions from temperature-dependent FT-IR spectra and ab initio calculations". . p. 1976 - 1985. Retrieved 1999.
• 2、 Wenzel, Barbara,Liu, Jianrong,Dukic-Stefanovic, Sladjana,Deuther-Conrad, Winnie,Teodoro, Rodrigo,Ludwig, Friedrich-Alexander,Chezal, Jean-Michel,Moreau, Emmanuel,Brust, Peter,Maisonial-Besset, Aurelie. "Targeting cyclic nucleotide phosphodiesterase 5 (PDE5) in brain: Toward the development of a PET radioligand labeled with fluorine-18". . p. 346 - 362. Retrieved 2019/02/14.