4-Hydroxy-1-phenylbut-2-yn-1-one

Base Information

Chemical Name:4-Hydroxy-1-phenylbut-2-yn-1-one
CAS No.:52804-68-9
Molecular Formula:C10H8O2
Molecular Weight:160.172
Hs Code.:2914400090
DSSTox Substance ID:DTXSID20481630
Nikkaji Number:J2.945.364K
Wikidata:Q82317140
Mol file:52804-68-9.mol

Synonyms:4-hydroxy-1-phenylbut-2-yn-1-one;52804-68-9;SCHEMBL12100834;DTXSID20481630;NWLZAQXAJNDAIK-UHFFFAOYSA-N

Suppliers and Price of 4-Hydroxy-1-phenylbut-2-yn-1-one

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Matrix Scientific
4-Hydroxy-1-phenylbut-2-yn-1-one 95%
5g
$ 3664.00

Matrix Scientific
4-Hydroxy-1-phenylbut-2-yn-1-one 95%
1g
$ 1814.00

Crysdot
4-Hydroxy-1-phenylbut-2-yn-1-one 95+%
1g
$ 762.00

Total 4 raw suppliers

Chemical Property of 4-Hydroxy-1-phenylbut-2-yn-1-one

Chemical Property:

PSA：37.30000
LogP:0.86500
Storage Temp.:2-8°C
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:160.052429494
Heavy Atom Count:12
Complexity:213

Purity/Quality:

99% ^*data from raw suppliers

4-Hydroxy-1-phenylbut-2-yn-1-one 95% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C(=O)C#CCO

Technology Process of 4-Hydroxy-1-phenylbut-2-yn-1-one

There total 10 articles about 4-Hydroxy-1-phenylbut-2-yn-1-one 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: 82.0%

: 84907-64-2
4-[(tetrahydro-2H-pyran-2-yl)oxy]-1-phenylbut-2-yn-1-one

: 52804-68-9
4-hydroxy-1-phenylbut-2-yn-1-one

Guidance literature:: With pyridinium p-toluenesulfonate; In ethanol; at 60 ℃; for 2h;
DOI:10.1002/chem.201404903

Reference yield: 31.0%

: 201230-82-2
carbon monoxide

: 107-19-7
propargyl alcohol

: 36719-71-8
1-phenyl-3,3-tetramethylenetriazene

: 52804-68-9
4-hydroxy-1-phenylbut-2-yn-1-one

Guidance literature:: With methanesulfonic acid; palladium diacetate; tris-(o-tolyl)phosphine; In tetrahydrofuran; at 70 ℃; for 20h; under 15001.5 Torr; Inert atmosphere; Autoclave;
DOI:10.1039/c5ob00502g

Reference yield:

: 52547-82-7
1-hydroxy-1-phenyl-4-(tetrahydropyran-2'-yloxy)but-2-yne

: 52804-68-9
4-hydroxy-1-phenylbut-2-yn-1-one

Guidance literature:: Multi-step reaction with 2 steps

1: MnO₂ / CH₂Cl₂ / 0.75 h / 0 °C

2: 10.75 g / pyridinium p-toluenesulfonate (PPTS) / ethanol / 50 °C

With manganese(IV) oxide; pyridinium p-toluenesulfonate; In ethanol; dichloromethane;
DOI:10.1002/hlca.19890720305