1-Fluoro-4-propylbenzene

Base Information

• Chemical Name: 1-Fluoro-4-propylbenzene
• CAS No.: 405-64-1
• Molecular Formula: C9H11 F
• Molecular Weight: 138.185
• Hs Code.: 2903999090
• European Community (EC) Number: 851-193-0
• Nikkaji Number: J2.750.674G
• Mol file: 405-64-1.mol

Synonyms:1-fluoro-4-propylbenzene;405-64-1;p-Fluoropropylbenzene;4-Fluoropropylbenzene;Benzene, 1-fluoro-4-propyl-;SCHEMBL371244;AKOS006346474;CS-0452193;FT-0632102;A825170

Chemical Property of 1-Fluoro-4-propylbenzene

Chemical Property:

• Vapor Pressure: 2.49mmHg at 25°C
• Refractive Index: 1.477
• Boiling Point: 165.2°Cat760mmHg
• Flash Point: 44.6°C
• PSA: 0.00000
• Density: 0.966g/cm³
• LogP: 2.77820
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 138.084478513
• Heavy Atom Count: 10
• Complexity: 82.7

Purity/Quality:

97% ^*data from raw suppliers

4-Fluoropropylbenzene 98% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

Useful:

• Canonical SMILES: CCCC1=CC=C(C=C1)F

Technology Process of 1-Fluoro-4-propylbenzene

There total 11 articles about 1-Fluoro-4-propylbenzene 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: 74.0%

1-propylmagnesium chloride (2234-82-4) + 1-Bromo-4-fluorobenzene (460-00-4) → 4-fluoro-n-propilbenzene (405-64-1)

Guidance literature:

With PdCl₂((S)-Xyl-phanephos); In 2-methyltetrahydrofuran; diethyl ether; at 20 ℃; for 24h; Reagent/catalyst; Time;

DOI:10.1039/c4cc04939j

Reference yield:

1-(4-fluorophenyl)propan-1-one (456-03-1) → 1-(4-fluorophenyl)propanol (701-47-3,166371-89-7) + 4-fluoro-n-propilbenzene (405-64-1)

Guidance literature:

With hydrogen; In toluene; at 80 ℃; for 24h; under 15001.5 Torr; chemoselective reaction; Autoclave;

DOI:10.1002/chem.201101004

Reference yield:

1-iodo-propane (107-08-4) + 4-flourophenylmagnesium bromide (352-13-6) → 4,4'-difluorobiphenyl (398-23-2) + 4-fluoro-n-propilbenzene (405-64-1)

Guidance literature:

With C₅₄H₈₀Cl₂Fe₂N₂O₄; In diethyl ether; at 22 ℃; for 0.5h; Inert atmosphere;

DOI:10.1039/c0dt01239d

upstream raw materials:

1-(4-fluorophenyl)propan-1-one

4-propylaniline

C₁₂H₁₃FO₄

C₁₇H₁₄ClFO₄

Downstream raw materials:

cis-(1R,2R)-1,2-dihydroxy-6-fluoro-3-propylcyclohexa-3,5-diene

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