1-Fluoro-3-(prop-1-en-2-yl)benzene

Base Information

• Chemical Name: 1-Fluoro-3-(prop-1-en-2-yl)benzene
• CAS No.: 3825-81-8
• Molecular Formula: C₉H₉F
• Molecular Weight: 136.169
• European Community (EC) Number: 837-974-9
• Nikkaji Number: J1.209.270I
• Mol file: 3825-81-8.mol

Synonyms:1-fluoro-3-(prop-1-en-2-yl)benzene;3825-81-8;1-fluoro-3-prop-1-en-2-ylbenzene;3-FC6H4C(CH3)=CH2;3-fluoro-alpha-methylstyrene;SCHEMBL6862739;AKOS013992178;CS-0233810;EN300-136261

Chemical Property of 1-Fluoro-3-(prop-1-en-2-yl)benzene

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 136.068828449
• Heavy Atom Count: 10
• Complexity: 129

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 1-Fluoro-3-(prop-1-en-2-yl)benzene

There total 8 articles about 1-Fluoro-3-(prop-1-en-2-yl)benzene 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: 49.0%

Methyltriphenylphosphonium bromide (1779-49-3) + 1-(3-fluorophenyl)ethanone (455-36-7) → 1-fluoro-3-(prop-1-en-2-yl)benzene (3825-81-8)

Guidance literature:

Methyltriphenylphosphonium bromide; With potassium tert-butylate; In tetrahydrofuran; at 0 ℃; for 0.75h;

1-(3-fluorophenyl)ethanone; In tetrahydrofuran; at 0 - 20 ℃; for 16h;

DOI:10.1021/acs.orglett.8b02450

Reference yield:

methyltriphenylphosphonium iodide (20667-19-0) + 1-(3-fluorophenyl)ethanone (455-36-7) → 1-fluoro-3-(prop-1-en-2-yl)benzene (3825-81-8)

Guidance literature:

With potassium tert-butylate; Inert atmosphere;

DOI:10.1021/acs.joc.7b02311

Reference yield:

methyltriphenylphosphonium iodide (20667-19-0) + 3'-Chloroacetophenone (99-02-5) → 1-fluoro-3-(prop-1-en-2-yl)benzene (3825-81-8)

Guidance literature:

methyltriphenylphosphonium iodide; With potassium tert-butylate; In tetrahydrofuran; at 0 ℃; for 1h; Cooling with ice;

3'-Chloroacetophenone; In tetrahydrofuran; at 20 ℃; for 1h; Cooling with ice;

upstream raw materials:

6,6'-dimethyl fulvene

Dichlorofluoromethane

1-(α-chloro-isopropyl)-3-fluoro-benzene

2,3,4,5,6-Pentafluoro-benzoic acid 1-(3-fluoro-phenyl)-1-methyl-ethyl ester

Downstream raw materials:

(R)-ethyl 4-(3-fluorophenyl)-2-hydroxypent-4-enoate

1-fluoro-3-(1-nitropropan-2-yl)benzene

(E)-1-fluoro-3-(1-nitroprop-1-en-2-yl)benzene

(S)-(+)-2-(2-(3-fluorophenyl)propyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane