1-(4-Fluorophenyl)prop-2-yn-1-ol

Base Information

• Chemical Name: 1-(4-Fluorophenyl)prop-2-yn-1-ol
• CAS No.: 3798-61-6
• Molecular Formula: C9H7FO
• Molecular Weight: 150.152
• European Community (EC) Number: 850-273-2
• Nikkaji Number: J1.102.464E
• Mol file: 3798-61-6.mol

Synonyms:1-(4-fluorophenyl)prop-2-yn-1-ol;3798-61-6;1-(4-fluorophenyl)-2-propyn-1-ol;MFCD21143261;SCHEMBL132554;JZJFKHHTWIWOOH-UHFFFAOYSA-N;AKOS014245512;1-(4-Fluoro-phenyl)-prop-2-yn-1-ol;1-hydroxy-1-(p-fluorophenyl)-2-propyne;3-(p-fluorophenyl)-3-hydroxy-1-propyne;AS-60897;SY045245;CS-0047272;EN300-186997;W16136

Chemical Property of 1-(4-Fluorophenyl)prop-2-yn-1-ol

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 150.048093005
• Heavy Atom Count: 11
• Complexity: 162

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(4-Fluorophenyl)prop-2-yn-1-ol

There total 7 articles about 1-(4-Fluorophenyl)prop-2-yn-1-ol 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: 84.0%

4-fluorobenzaldehyde (459-57-4) + acetylenemagnesium bromide (4301-14-8) → 1-(4-fluorophenyl)prop-2-yn-1-ol (3798-61-6,179249-16-2)

Guidance literature:

In tetrahydrofuran; at 0 - 20 ℃; for 3.25h;

DOI:10.1021/jacs.8b01416

Reference yield:

4-fluorobenzaldehyde (459-57-4) + trimethylsilylacetylene (1066-54-2) → 1-(4-fluorophenyl)prop-2-yn-1-ol (3798-61-6,179249-16-2)

Guidance literature:

trimethylsilylacetylene; With n-butyllithium; In tetrahydrofuran; at -78 ℃; for 0.5h; Inert atmosphere;

4-fluorobenzaldehyde; In tetrahydrofuran; at -78 ℃; for 1h; Inert atmosphere;

With water; sodium hydroxide; In tetrahydrofuran; at 20 ℃; for 1h; Inert atmosphere;

DOI:10.1021/ol901891u

Reference yield:

1-(4-fluorophenyl)-3-(trimethylsilyl)prop-2-yn-1-ol → 1-(4-fluorophenyl)prop-2-yn-1-ol (3798-61-6,179249-16-2)

Guidance literature:

With methanol; potassium carbonate; at 20 ℃; for 12h; Inert atmosphere;

DOI:10.1021/jo101995g

upstream raw materials:

4-fluorobenzaldehyde

acetylenemagnesium bromide

trimethylsilylacetylene

Downstream raw materials:

4-fluorobenzyl carbamate

(4-Fluor-α-ethinyl-benzyl)-carbamat

1-hydroxy-1-(4-fluorophenyl)-propan-2-one

p-fluorophenyl(benzofuran-2-yl)methanol