1-Phenylpent-4-yn-1-ol

Base Information

• Chemical Name: 1-Phenylpent-4-yn-1-ol
• CAS No.: 19082-37-2
• Molecular Formula: C₁₁H₁₂O
• Molecular Weight: 160.216
• European Community (EC) Number: 893-181-8
• Nikkaji Number: J1.372.699J
• Mol file: 19082-37-2.mol

Synonyms:1-phenylpent-4-yn-1-ol;19082-37-2;Benzenemethanol, alpha-3-butyn-1-yl-;1-Hydroxy-1-phenylpent-4-yne;SCHEMBL2496078;KLCFSSYQMSYTTN-UHFFFAOYSA-N;AKOS011020490;CS-0231934;EN300-1258724

Chemical Property of 1-Phenylpent-4-yn-1-ol

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 160.088815002
• Heavy Atom Count: 12
• Complexity: 159

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 1-Phenylpent-4-yn-1-ol

There total 13 articles about 1-Phenylpent-4-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: 99.0%

1-phenyl-5-(trimethylsilyl)penta-4-yn-1-ol → 1-hydroxy-1-phenyl-4-pentyne (19082-37-2)

Guidance literature:

With potassium carbonate; In methanol; at 20 ℃;

DOI:10.1246/cl.2007.474

Reference yield: 95.0%

1-phenylpenta-4-yn-1-one (18476-65-8) → 1-hydroxy-1-phenyl-4-pentyne (19082-37-2)

Guidance literature:

With [Cu(2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline)(4,5-bis(diphenylphosphino)-9,9-dimethylxanthene)](PF₆); [Co(trifluoromethanesulfonate)(1,4-di(picolyl)-7-(p-toluenesulfonyl)-1,4,7-triazacyclononane)](trifluoromethanesulfonate); water; triethylamine; In acetonitrile; at 30 ℃; for 5h; Irradiation; Inert atmosphere;

DOI:10.1039/c7sc01276d

Reference yield: 76.0%

1-phenyl-2-(toluene-4-sulfonyl)pent-4-yn-1-one → 1-hydroxy-1-phenyl-4-pentyne (19082-37-2)

Guidance literature:

With methanol; 10 % sodium amalgam; at 20 ℃; for 2h; Inert atmosphere;

DOI:10.1016/j.tet.2016.07.043

upstream raw materials:

styrene oxide

prop-1-yne

4-pentyn-1-al

phenylmagnesium bromide

Downstream raw materials:

1-phenylpenta-4-yn-1-one

(1-bromo-pent-4-ynyl)-benzene

1-phenylhexa-4,5-dien-1-ol

2-(3-hydroxy-3-phenylpropyl)-2-methyl-1,2,3,4-tetrahydro-4-quinazolinone