Zocainone

Base Information

Chemical Name:Zocainone
CAS No.:68876-74-4
Molecular Formula:C22H27NO3
Molecular Weight:353.4547
Hs Code.:
UNII:W8U4S4XLWC
DSSTox Substance ID:DTXSID801024443
Wikidata:Q27292472
NCI Thesaurus Code:C66699
Metabolomics Workbench ID:144689
ChEMBL ID:CHEMBL164840
Mol file:68876-74-4.mol

Synonyms:Zocainone;Zocainone [INN];UNII-W8U4S4XLWC;W8U4S4XLWC;68876-74-4;(E)-3-(o-(2-(Diethylamino)ethoxy)phenoxy)-4-phenyl-3-buten-2-one;(E)-3-[2-[2-(diethylamino)ethoxy]phenoxy]-4-phenylbut-3-en-2-one;CHEMBL164840;SCHEMBL1813805;DTXSID801024443;Q27292472

Suppliers and Price of Zocainone

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
ZOCAINONE 95.00%
5MG
$ 501.01

Total 6 raw suppliers

Chemical Property of Zocainone

Chemical Property:

Vapor Pressure:2.08E-10mmHg at 25°C
Boiling Point:507.2°Cat760mmHg
Flash Point:260.5°C
PSA：38.77000
Density:1.084g/cm³
LogP:4.41610
XLogP3:4.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:10
Exact Mass:353.19909372
Heavy Atom Count:26
Complexity:439

Purity/Quality:

99% ^*data from raw suppliers

ZOCAINONE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCN(CC)CCOC1=CC=CC=C1OC(=CC2=CC=CC=C2)C(=O)C
Isomeric SMILES:CCN(CC)CCOC1=CC=CC=C1O/C(=C/C2=CC=CC=C2)/C(=O)C
Therapeutic Function Antiarrhythmic

Technology Process of Zocainone

There total 7 articles about Zocainone 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: 67.0%

: 100-35-6
2-(diethylamino)ethyl chloride

: 106063-49-4
(Z)-3-(2-hydroxyphenoxy)-4-phenyl-3-buten-2-one sodium salt

: 57150-77-3,68876-74-4
(Z)-3-<2-<2-(diethylamino)ethoxy>phenoxy>-4-phenyl-3-buten-2-one

Guidance literature:: In acetone; for 35h; Heating;
DOI:10.1021/jm00388a005

Reference yield:

: N,N-diethylamino-ethyl chloride

: 57018-16-3
sodium salt of 3-o-hydroxyphenoxy-4-phenyl-3-butene-2-one

: 57150-77-3,68876-74-4
(Z)-3-<2-<2-(diethylamino)ethoxy>phenoxy>-4-phenyl-3-buten-2-one

Guidance literature:: In water; acetone;

Reference yield:

: 22965-96-4
(Z)-3-bromo-4-phenyl-3-buten-2-one

: 57150-77-3,68876-74-4
(Z)-3-<2-<2-(diethylamino)ethoxy>phenoxy>-4-phenyl-3-buten-2-one

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) K₂CO₃, 2.) 10percent aq. NaOH / 1.) acetone, reflux, 4 h. 2.) ethyl ether

2: 67 percent / acetone / 35 h / Heating

With sodium hydroxide; potassium carbonate; In acetone;
DOI:10.1021/jm00388a005