Propanedinitrile, [2,5-bis(1,1-dimethylethyl)-3,4-dihydroxyphenyl]-

Base Information

• Chemical Name: Propanedinitrile, [2,5-bis(1,1-dimethylethyl)-3,4-dihydroxyphenyl]-
• CAS No.: 193472-75-2
• Molecular Formula: C17H22N2O2
• Molecular Weight: 286.374
• DSSTox Substance ID: DTXSID70417065
• Mol file: 193472-75-2.mol

Synonyms:193472-75-2;Propanedinitrile, [2,5-bis(1,1-dimethylethyl)-3,4-dihydroxyphenyl]-;2-(2,5-ditert-butyl-3,4-dihydroxyphenyl)propanedinitrile;CBMicro_028833;Oprea1_760617;DTXSID70417065;BIM-0028954.P001;3,6-di-t-butyl-4-dicyanomethylpyrocatechol

Chemical Property of Propanedinitrile, [2,5-bis(1,1-dimethylethyl)-3,4-dihydroxyphenyl]-

Chemical Property:

• XLogP3: 4.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 286.168127949
• Heavy Atom Count: 21
• Complexity: 453

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Propanedinitrile, [2,5-bis(1,1-dimethylethyl)-3,4-dihydroxyphenyl]-

There total 1 articles about Propanedinitrile, [2,5-bis(1,1-dimethylethyl)-3,4-dihydroxyphenyl]- 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: 78.0%

3,5-di-tert-butyl-1,2-benzoquinone (34105-76-5) + malononitrile (109-77-3) → 2-(2,5-Di-tert-butyl-3,4-dihydroxy-phenyl)-malononitrile (193472-75-2)

Guidance literature:

With triethylamine; In methanol;

DOI:10.1007/BF02494376

Reference yield: 80.0%

2-(2,5-Di-tert-butyl-3,4-dihydroxy-phenyl)-malononitrile (193472-75-2) → 3,6-di-tert-butyl-4-dicyanomethyl-1,2-benzoquinone

Guidance literature:

With nitric acid; In toluene;

DOI:10.1007/BF02494376

upstream raw materials:

3,5-di-tert-butyl-1,2-benzoquinone

malononitrile