3,5-Di-tert-butyl-6-iminocyclohexa-2,4-dien-1-one

Base Information

Chemical Name:3,5-Di-tert-butyl-6-iminocyclohexa-2,4-dien-1-one
CAS No.:91054-21-6
Molecular Formula:C14H21NO
Molecular Weight:219.327
Hs Code.:
DSSTox Substance ID:DTXSID50571053
Nikkaji Number:J767.158J
Wikidata:Q82458636

Synonyms:91054-21-6;3,5-Di-tert-butyl-6-iminocyclohexa-2,4-dien-1-one;DTXSID50571053

Suppliers and Price of 3,5-Di-tert-butyl-6-iminocyclohexa-2,4-dien-1-one

Supply Marketing:

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

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Chemical Property of 3,5-Di-tert-butyl-6-iminocyclohexa-2,4-dien-1-one

Chemical Property:

PSA：40.92000
LogP:3.63360
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:219.162314293
Heavy Atom Count:16
Complexity:397

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)(C)C1=CC(=O)C(=N)C(=C1)C(C)(C)C

Technology Process of 3,5-Di-tert-butyl-6-iminocyclohexa-2,4-dien-1-one

There total 3 articles about 3,5-Di-tert-butyl-6-iminocyclohexa-2,4-dien-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: 100.0%

: 24973-57-7
2-amino-3,5-di(tert-butyl)phenol

: 91054-21-6
2,4-di-tert-butyl-6-iminocyclohexa-2,4-dienoneine

Guidance literature:: With lead dioxide; In acetonitrile; for 12h; Ambient temperature;
DOI:10.1021/jo00193a024

Reference yield: 12.0%

: 961-38-6
2,4,6-Tri-tert-butylaniline

: 3383-21-9
3,5-di-tert-butyl-o-benzoquinone

: 91054-21-6
2,4-di-tert-butyl-6-iminocyclohexa-2,4-dienoneine

Guidance literature:: With tert.-butylhydroperoxide; C₃₈H₅₀CuN₆O₈; In methanol; at 20 ℃; for 30h; Concentration; Kinetics;
DOI:10.1016/j.ica.2014.11.025

Reference yield:

: 3114-67-8
2-Nitro-3,5-di-tert-butyl-phenol

: 91054-21-6
2,4-di-tert-butyl-6-iminocyclohexa-2,4-dienoneine

Guidance literature:: Multi-step reaction with 2 steps

1: NaHSO₃ / aq. ethanol; aq. NaOH / Ambient temperature; pH=11.00

2: tetraethylammonium hydroxide / acetonitrile / electrochemical oxidation at -0.30 V vs. SCE; addition of 0.1 M tetraethylammonium perchlorate

With tetraethylammonium hydroxide; sodium hydrogensulfite; In sodium hydroxide; ethanol; acetonitrile;
DOI:10.1021/jo00193a024