1-Allyl-4-fluorobenzene

Base Information

• Chemical Name: 1-Allyl-4-fluorobenzene
• CAS No.: 1737-16-2
• Molecular Formula: C9H9F
• Molecular Weight: 136.169
• Hs Code.: 2903999090
• European Community (EC) Number: 624-269-4
• DSSTox Substance ID: DTXSID80456829
• Nikkaji Number: J1.872.380H
• Mol file: 1737-16-2.mol

Synonyms:1-Allyl-4-fluorobenzene;1737-16-2;3-(4-FLUOROPHENYL)-1-PROPENE;Benzene, 1-fluoro-4-(2-propen-1-yl)-;1-fluoro-4-prop-2-enylbenzene;MFCD07698630;SCHEMBL1009808;SCHEMBL13167464;1-Allyl-4-fluorobenzene, 97%;1-fluoro-4-(2-propenyl)benzene;DTXSID80456829;NYFIDHXRJSCAOZ-UHFFFAOYSA-N;AKOS006281655;1-fluoro-4-(prop-2-en-1-yl)benzene;AS-80523;CS-0267264;EN300-698350;J-010936

Chemical Property of 1-Allyl-4-fluorobenzene

Chemical Property:

• Vapor Pressure: 2.67mmHg at 25°C
• Refractive Index: n20/D1.494
• Boiling Point: 163.7oC at 760 mmHg
• Flash Point: 43.6oC
• PSA: 0.00000
• Density: 0.986g/cm3
• LogP: 2.55420
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 136.068828449
• Heavy Atom Count: 10
• Complexity: 101

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-Allyl-4-fluorobenzene 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 10-22-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCC1=CC=C(C=C1)F

Technology Process of 1-Allyl-4-fluorobenzene

There total 17 articles about 1-Allyl-4-fluorobenzene 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: 75.0%

→ 1-allyl-4-fluorobenzene (1737-16-2)

Guidance literature:

With magnesium; lithium chloride; In tetrahydrofuran; at 20 ℃; Inert atmosphere;

With iron(III)-acetylacetonate; In tetrahydrofuran; at 0 ℃; for 0.0833333h;

In tetrahydrofuran; for 2h;

Reference yield: 65.0%

Allyl acetate (591-87-7) + 1-Bromo-4-fluorobenzene (460-00-4) → 1-allyl-4-fluorobenzene (1737-16-2) + 1-fluoro-4-(prop-1-en-1-yl)benzene (699-01-4)

Guidance literature:

1-Bromo-4-fluorobenzene; With magnesium; lithium chloride; In tetrahydrofuran; at 20 ℃; for 2h; Inert atmosphere;

With iron(III)-acetylacetonate; In tetrahydrofuran; at 0 ℃; for 0.0833333h; Inert atmosphere;

Allyl acetate; In tetrahydrofuran; at 0 ℃; for 0.75h; Inert atmosphere;

DOI:10.1002/adsc.201000228

Reference yield: 51.0%

Allyl acetate (591-87-7) + 1-Bromo-4-fluorobenzene (460-00-4) → 1-allyl-4-fluorobenzene (1737-16-2)

Guidance literature:

With pyridine; tetrabutyl ammonium fluoride; cobalt(II) bromide; at 50 ℃; Electrolysis;

DOI:10.1021/jo026421b

upstream raw materials:

allyl bromide

4-flourophenylmagnesium bromide

1-Bromo-4-fluorobenzene

allyltributylstanane

Downstream raw materials:

C₁₂H₁₂FNO₄

(E)-methyl 5-(4-fluorophenyl)-2-nitropent-4-enoate

9-BBN-6

(E)-3-(4'-fluorophenyl)-2-propen-1-ol acetate

Refernces

• 1、 Guo, Yunlong,Shen, Zengming. "Palladium-catalyzed allylic C-H oxidation under simple operation and mild conditions". supporting information. p. 3103 - 3107. Retrieved 2019/03/26.
• 2、 Qin, Ling,Sharique, Mohammed,Tambar, Uttam K.. "Controllable, Sequential, and Stereoselective C-H Allylic Alkylation of Alkenes". supporting information. p. 17305 - 17313. Retrieved 2019/11/03.