3-Fluoropentane

Base Information

• Chemical Name: 3-Fluoropentane
• CAS No.: 41909-29-9
• Molecular Formula: C5H11F
• Molecular Weight: 90.1407
• ChEMBL ID: CHEMBL177481
• DSSTox Substance ID: DTXSID70598742
• Wikidata: Q82494543
• Mol file: 41909-29-9.mol

Synonyms:3-FLUOROPENTANE;41909-29-9;3-Fluoro-pentane;Pentane, 3-fluoro;CHEMBL177481;DTXSID70598742;FBWYFZYJEAMPHJ-UHFFFAOYSA-N;AKOS006276036

Chemical Property of 3-Fluoropentane

Chemical Property:

• Melting Point: -120.5°C (estimate)
• Refractive Index: 1.3540 (estimate)
• Boiling Point: 53.65°C (estimate)
• PSA: 0.00000
• Density: 0.7915 (estimate)
• LogP: 2.14450
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 90.084478513
• Heavy Atom Count: 6
• Complexity: 23.1

Purity/Quality:

99%min ^*data from raw suppliers

3-FLUOROPENTANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC(CC)F

Technology Process of 3-Fluoropentane

There total 4 articles about 3-Fluoropentane 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:

2-methoxypentane (6795-88-6) + acetyl fluoride (557-99-3) → 2-pentyl fluoride (590-87-4) + 2-Pentyl acetate (626-38-0) + 1-penten (109-67-1) + 3-pentyl fluoride (41909-29-9)

Guidance literature:

With N-Bromosuccinimide; In chloroform; at 0 - 20 ℃; for 20h; Solvent; Reagent/catalyst;

Reference yield:

2-Ethylbutyraldehyde (97-96-1) → 2-ethyl-butyryl fluoride (654-43-3) + 3-pentyl fluoride (41909-29-9)

Guidance literature:

With sodium decatungstate; N-fluorobis(benzenesulfon)imide; In acetonitrile; for 3h; UV-irradiation;

DOI:10.1039/c8cc06375c

Reference yield:

(1-ethylpropoxy)trimethylsilane (53690-73-6) → 3-pentyl fluoride (41909-29-9)

Guidance literature:

Multistep reaction; (i) PhPF₄, (ii) (heating);

DOI:10.1016/S0040-4020(01)83214-2

upstream raw materials:

(1-ethylpropoxy)trimethylsilane

2-methoxypentane

acetyl fluoride

2-Ethylbutyraldehyde

Refernces

• 1、 -. "METHOD FOR PRODUCING FLUORINATED HYDROCARBON". Paragraph 0063; 0067; 0072. . Retrieved 2018/03/09.