1-(4-Hydroxy-3-methoxyphenyl)-4,4-dimethyl-1-penten-3-one

Base Information

Chemical Name:1-(4-Hydroxy-3-methoxyphenyl)-4,4-dimethyl-1-penten-3-one
CAS No.:58344-27-7
Molecular Formula:C14H18O3
Molecular Weight:234.295
Hs Code.:
Wikidata:Q76387641
Mol file:58344-27-7.mol

Synonyms:1-(4-Hydroxy-3-methoxyphenyl)-4,4-dimethyl-1-penten-3-one;58344-27-7;BRN 3274514;(E)-1-(4-hydroxy-3-methoxyphenyl)-4,4-dimethylpent-1-en-3-one;1-Penten-3-one, 1-(4-hydroxy-3-methoxyphenyl)-4,4-dimethyl-;2-08-00-00336 (Beilstein Handbook Reference);SCHEMBL10001150;HQCPXGCKNBVMPN-SOFGYWHQSA-N;LS-102186;(1e)-1-(4-hydroxy-3-methoxyphenyl)-4,4-di-methylpent-1-en-3-one

Suppliers and Price of 1-(4-Hydroxy-3-methoxyphenyl)-4,4-dimethyl-1-penten-3-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

TRC
1-(4-Hydroxy-3-methoxyphenyl)-4,4-dimethyl-1-penten-3-one
2mg
$ 70.00

American Custom Chemicals Corporation
1-(4-HYDROXY-3-METHOXYPHENYL)-4,4-DIMETHYL-1-PENTEN-3-ONE 95.00%
50MG
$ 1871.10

American Custom Chemicals Corporation
1-(4-HYDROXY-3-METHOXYPHENYL)-4,4-DIMETHYL-1-PENTEN-3-ONE 95.00%
5MG
$ 774.40

Total 5 raw suppliers

Chemical Property of 1-(4-Hydroxy-3-methoxyphenyl)-4,4-dimethyl-1-penten-3-one

Chemical Property:

Vapor Pressure:4.46E-06mmHg at 25°C
Melting Point:104-106°C
Boiling Point:372.5°Cat760mmHg
PKA:9.78±0.35(Predicted)
Flash Point:136.3°C
PSA：46.53000
Density:1.084g/cm³
LogP:3.02920
Storage Temp.:Refrigerator
Solubility.:Chloroform, Dichloromethane, Ether, Ethyl Acetate, Methanol
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:234.125594432
Heavy Atom Count:17
Complexity:288

Purity/Quality:

99% ^*data from raw suppliers

1-(4-Hydroxy-3-methoxyphenyl)-4,4-dimethyl-1-penten-3-one ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)C(=O)C=CC1=CC(=C(C=C1)O)OC
Isomeric SMILES:CC(C)(C)C(=O)/C=C/C1=CC(=C(C=C1)O)OC
Uses Intermediate in the preparation of Stiripentol metabolites.

Technology Process of 1-(4-Hydroxy-3-methoxyphenyl)-4,4-dimethyl-1-penten-3-one

There total 5 articles about 1-(4-Hydroxy-3-methoxyphenyl)-4,4-dimethyl-1-penten-3-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: 70.0%

: 75-97-8
3,3-dimethyl-butan-2-one

: 121-33-5,8014-42-4
vanillin

: 58344-27-7
1-(4-hydroxy-3-methoxy-phenyl)-4,4-dimethyl-pent-1-en-3-one

Guidance literature:: vanillin; With sodium hydroxide; In ethanol; at 20 ℃; for 0.5h;

3,3-dimethyl-butan-2-one; In ethanol; at 5 - 40 ℃;

Reference yield:

: C₁₉H₂₆O₄

: 58344-27-7
(1E)-1-(4-hydroxy-3-methoxyphenyl)-4,4-dimethylpent-1-en-3-one

Guidance literature:: With methanol; pyridinium p-toluenesulfonate; at 20 ℃; for 3h;
DOI:10.1134/S1070428017010055

Reference yield:

: 121-33-5,8014-42-4
vanillin

: 58344-27-7
(1E)-1-(4-hydroxy-3-methoxyphenyl)-4,4-dimethylpent-1-en-3-one

Guidance literature:: Multi-step reaction with 3 steps

1: pyridinium p-toluenesulfonate / dichloromethane / 40 h / 20 °C

2: sodium methylate / methanol / 20 h / 20 °C

3: pyridinium p-toluenesulfonate; methanol / 3 h / 20 °C

With methanol; sodium methylate; pyridinium p-toluenesulfonate; In methanol; dichloromethane;
DOI:10.1134/S1070428017010055