1-Fluoro-3-propadienylbenzene

Base Information

• Chemical Name: 1-Fluoro-3-propadienylbenzene
• CAS No.: 70090-82-3
• Molecular Formula: C9H7F
• Molecular Weight: 134.153
• DSSTox Substance ID: DTXSID10532443
• Nikkaji Number: J3.284.295J
• Mol file: 70090-82-3.mol

Synonyms:1-Fluoro-3-propadienylbenzene;70090-82-3;DTXSID10532443

Chemical Property of 1-Fluoro-3-propadienylbenzene

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 134.053178385
• Heavy Atom Count: 10
• Complexity: 145

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=C=CC1=CC(=CC=C1)F

Technology Process of 1-Fluoro-3-propadienylbenzene

There total 4 articles about 1-Fluoro-3-propadienylbenzene 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:

1-(2,2-dibromocyclopropyl)-3-fluorobenzene → 1-fluoro-3-(propa-1,2-dien-1-yl)benzene (70090-82-3)

Guidance literature:

With ethylmagnesium bromide; In tetrahydrofuran; diethyl ether; at 0 - 32 ℃; for 2h; Inert atmosphere;

DOI:10.1021/acs.orglett.1c01011

Reference yield:

1-(Bromomethyl)-3-fluorobenzene (456-41-7) → 1-fluoro-3-(propa-1,2-dien-1-yl)benzene (70090-82-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 95 percent / toluene / 6 h / Heating

2: 1.NaH / diethyl ether / 1.) two days, ultrasonic bath, 2.)10-15 min.

With sodium hydride; In diethyl ether; toluene;

DOI:10.1021/jo00183a005

Reference yield:

Ketene (463-51-4) + (3-fluorobenzyl)(triphenyl)phosphonium bromide (89302-81-8) → 1-fluoro-3-(propa-1,2-dien-1-yl)benzene (70090-82-3)

Guidance literature:

With sodium hydride; In diethyl ether; Yield given; 1.) two days, ultrasonic bath, 2.)10-15 min.;

DOI:10.1021/jo00183a005

upstream raw materials:

Ketene

(3-fluorobenzyl)(triphenyl)phosphonium bromide

1-(Bromomethyl)-3-fluorobenzene

3-fluorostyrene

Downstream raw materials:

(E)-1-(3-ethoxyprop-1-enyl)-3-fluorobenzene

2-(3-fluorophenyl)-1H-benzo[d]imidazole

2-(3-fluorophenyl)-3-methylquinoxaline

1-(3-fluorophenyl)propane-1,2-dione