Propanedinitrile, [bis[3,5-bis(1,1-dimethylethyl)-4-oxo-2,5-cyclohexadien-1-ylidene]cyclopropylidene]-

Base Information

Chemical Name:Propanedinitrile, [bis[3,5-bis(1,1-dimethylethyl)-4-oxo-2,5-cyclohexadien-1-ylidene]cyclopropylidene]-
CAS No.:63165-89-9
Molecular Formula:C34H40N2O2
Molecular Weight:508.704
Hs Code.:
DSSTox Substance ID:DTXSID5069752
Nikkaji Number:J429.536F
Wikidata:Q81996769
Mol file:63165-89-9.mol

Synonyms:63165-89-9;Propanedinitrile, [bis[3,5-bis(1,1-dimethylethyl)-4-oxo-2,5-cyclohexadien-1-ylidene]cyclopropylidene]-;(Bis(3,5-bis(1,1-dimethylethyl)-4-oxo-2,5-cyclohexadien-1-ylidene)cyclopropylidene)propanedinitrile;Propanedinitrile, (bis(3,5-bis(1,1-dimethylethyl)-4-oxo-2,5-cyclohexadien-1-ylidene)cyclopropylidene)-;Propanedinitrile, 2-(2,3-bis(3,5-bis(1,1-dimethylethyl)-4-oxo-2,5-cyclohexadien-1-ylidene)cyclopropylidene)-;SCHEMBL2208889;DTXSID5069752;[2,3-Bis[3,5-bis(1,1-dimethylethyl)-4-oxo-2,5-cyclohexadien-1-ylidene]cyclopropylidene]propanedinitrile;1,2-Bis(3,5-di-tert-butyl-4-oxo-2,5-cyclohexadiene-1-ylidene)-3-dicyanomethylenecyclopropane

Suppliers and Price of Propanedinitrile, [bis[3,5-bis(1,1-dimethylethyl)-4-oxo-2,5-cyclohexadien-1-ylidene]cyclopropylidene]-

Supply Marketing:

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

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Chemical Property of Propanedinitrile, [bis[3,5-bis(1,1-dimethylethyl)-4-oxo-2,5-cyclohexadien-1-ylidene]cyclopropylidene]-

Chemical Property:

Vapor Pressure:4.08E-12mmHg at 25°C
Boiling Point:549.3°Cat760mmHg
Flash Point:286°C
PSA：81.72000
Density:1.146g/cm³
LogP:7.99236
XLogP3:7.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:508.308978523
Heavy Atom Count:38
Complexity:1290

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)C1=CC(=C2C(=C3C=C(C(=O)C(=C3)C(C)(C)C)C(C)(C)C)C2=C(C#N)C#N)C=C(C1=O)C(C)(C)C

Technology Process of Propanedinitrile, [bis[3,5-bis(1,1-dimethylethyl)-4-oxo-2,5-cyclohexadien-1-ylidene]cyclopropylidene]-

There total 3 articles about Propanedinitrile, [bis[3,5-bis(1,1-dimethylethyl)-4-oxo-2,5-cyclohexadien-1-ylidene]cyclopropylidene]- 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: 87.0%

: 64631-50-1
1,2-Bis(3,5-di-tert-butyl-4-hydroxyphenyl)-3-dicyanomethylene cyclopropene

: 63165-89-9
1,2-Bis(3,5-di-tert-butyl-4-oxo-2,5-cyclohexadiene-1-ylidene)-3-dicyanomethylenecyclopropane

Guidance literature:: With potassium hydroxide; potassium hexacyanoferrate(III); In dichloromethane; at 20 ℃; for 3h;

Reference yield:

: 128-39-2
2,6-di-tert-butylphenol

: 63165-89-9
1,2-Bis(3,5-di-tert-butyl-4-oxo-2,5-cyclohexadiene-1-ylidene)-3-dicyanomethylenecyclopropane

Guidance literature:: Multi-step reaction with 3 steps

1: aluminum (III) chloride / dichloromethane / 2 h / -78 - 20 °C

2: 3-amino propanoic acid; acetic anhydride / 3 h / Reflux

3: potassium hexacyanoferrate(III); potassium hydroxide / dichloromethane / 3 h / 20 °C

With aluminum (III) chloride; acetic anhydride; potassium hydroxide; potassium hexacyanoferrate(III); 3-amino propanoic acid; In dichloromethane;