Piroctone

Base Information

Chemical Name:Piroctone
CAS No.:50650-76-5
Molecular Formula:C₁₄H₂₃NO₂
Molecular Weight:237.342
Hs Code.:2933399090
UNII:R49EFA73Q7
DSSTox Substance ID:DTXSID2048298
Nikkaji Number:J10.219I
Wikidata:Q27126397
NCI Thesaurus Code:C66429
Metabolomics Workbench ID:60344
ChEMBL ID:CHEMBL1473700
Mol file:50650-76-5.mol

Synonyms:Piroctone;50650-76-5;Piroctona;Piroctonum;Piroctonol;Piroctonum [INN-Latin];Piroctone [USAN];Piroctone [USAN:INN];Piroctona [INN-Spanish];1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2-one;1-Hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-2(1H)-pyridone;UNII-R49EFA73Q7;R49EFA73Q7;CHEBI:59009;2(1H)-Pyridinone, 1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-;1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2(1H)-one;NCGC00167586-01;PIROCTONE [INN];PIROCTONE [MI];Piroctone (USAN/INN);PIROCTONE [WHO-DD];SCHEMBL3588;CHEMBL1473700;DTXSID2048298;NCGC00167586-02;NCGC00167586-03;D05504;AB01563386_01;BRD-A96510685-213-01-1;Q27126397;1-Hydroxy-4-methyl-6(2,4,4-trimethylpentyl) 2-pyridon;1-hydroxy-4-methyl-6(2,4,4-trimethylpentyl)-2-pyridone;1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-2-pyridone;1-Hyroxy-4-methyl-6-(2,4,4-trimethylpentyl)-2(1H)-pyridone;1-Hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-2(1H)-pyridinone;1-Hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-2(1H)-pyridinone #

Suppliers and Price of Piroctone

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

American Custom Chemicals Corporation
PIROCTONE 95.00%
5MG
$ 500.85

Total 15 raw suppliers

Chemical Property of Piroctone

Chemical Property:

Vapor Pressure:4.31E-06mmHg at 25°C
Melting Point:108 ºC
Refractive Index:1.512
Boiling Point:344.1 °C at 760 mmHg
PKA:6.21±0.58(Predicted)
Flash Point:161.9 °C
PSA：42.23000
Density:1.029
LogP:3.00880
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:237.172878976
Heavy Atom Count:17
Complexity:361

Purity/Quality:

98%Min ^*data from raw suppliers

PIROCTONE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=O)N(C(=C1)CC(C)CC(C)(C)C)O
Uses Antiseborrheic.

Technology Process of Piroctone

There total 7 articles about Piroctone 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: 99.1%

: 68890-66-4
piroctone olamine

: 68890-66-4,50650-76-5
6-(2,4,4-trimethylpentyl)-1-hydroxy-4-methyl-2(1H)-pyridone

Guidance literature:: With hydrogenchloride; In ethanol; at 32 - 50 ℃; for 1.5h; Solvent;

Reference yield: 91.0%

: 50650-75-4
4-methyl-6-(2,4,4-trimethylpentyl)-2H-pyran-2-one

: 68890-66-4,50650-76-5
6-(2,4,4-trimethylpentyl)-1-hydroxy-4-methyl-2(1H)-pyridone

Guidance literature:: With dmap; hydroxylamine hydrochloride; In methanol; dichloromethane; at 40 ℃; for 8h; Time;

Reference yield:

: 3,7,9,9-tetramethyl-2-decen-5-onic acid methyl ester

: 68890-66-4,50650-76-5
6-(2,4,4-trimethylpentyl)-1-hydroxy-4-methyl-2(1H)-pyridone

Guidance literature:: Multi-step reaction with 2 steps

1: sulfuric acid / water / 5 h / Reflux

2: hydroxylamine hydrochloride; dmap / dichloromethane; methanol / 8 h / 40 °C

With dmap; sulfuric acid; hydroxylamine hydrochloride; In methanol; dichloromethane; water;