Butyronitrile, 2,2-diphenyl-4-(4-oxo-1-phenyl-1,3,8-triazaspiro(4.5)dec-8-YL)-

Base Information

• Chemical Name: Butyronitrile, 2,2-diphenyl-4-(4-oxo-1-phenyl-1,3,8-triazaspiro(4.5)dec-8-YL)-
• CAS No.: 1062-15-3
• Molecular Formula: C29H30 N4 O
• Molecular Weight: 450.583
• DSSTox Substance ID: DTXSID20147542
• Nikkaji Number: J67.424I
• Wikidata: Q83012890
• Mol file: 1062-15-3.mol

Synonyms:BRN 0633766;BUTYRONITRILE, 2,2-DIPHENYL-4-(4-OXO-1-PHENYL-1,3,8-TRIAZASPIRO(4.5)DEC-8-YL)-;2,2-Diphenyl-4-(4-oxo-1-phenyl-1,3,8-triazaspiro(4.5)dec-8-yl)butyronitrile;8-(3-Cyano-3,3-diphenylpropyl)-1-oxo-4-phenyl-2,4,8-triaza-spiro-(4.5)-decane;1062-15-3;5-26-04-00111 (Beilstein Handbook Reference);SCHEMBL5100420;C29H30N4O;DTXSID20147542;C29-H30-N4-O;LS-48252;L022588;2,2-Diphenyl-4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]deca-8-yl)butyronitrile

Chemical Property of Butyronitrile, 2,2-diphenyl-4-(4-oxo-1-phenyl-1,3,8-triazaspiro(4.5)dec-8-YL)-

Chemical Property:

• Vapor Pressure: 1.27E-19mmHg at 25°C
• Boiling Point: 703.2°C at 760 mmHg
• Flash Point: 379.1°C
• Density: 1.24g/cm³
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 450.24196159
• Heavy Atom Count: 34
• Complexity: 713

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCC(C#N)(C4=CC=CC=C4)C5=CC=CC=C5

Technology Process of Butyronitrile, 2,2-diphenyl-4-(4-oxo-1-phenyl-1,3,8-triazaspiro(4.5)dec-8-YL)-

There total 2 articles about Butyronitrile, 2,2-diphenyl-4-(4-oxo-1-phenyl-1,3,8-triazaspiro(4.5)dec-8-YL)- 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:

4-bromo-2,2-diphenylbutyronitrile (39186-58-8) + 1-Phenyl-1,3,8-triaza-spiro[4.5]decan-4-one (1021-25-6) → 4-(4-oxo-1-phenyl-1,3,8-triaza-spiro[4.5]dec-8-yl)-2,2-diphenyl-butyronitrile (1062-15-3)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; N,N-dimethyl-formamide; In acetonitrile; at 60 ℃; for 12h;

Reference yield:

→ 4-(4-oxo-1-phenyl-1,3,8-triaza-spiro[4.5]dec-8-yl)-2,2-diphenyl-butyronitrile (1062-15-3)

Guidance literature:

aus dem Butyronitril;

Reference yield: 72.7%

4-(4-oxo-1-phenyl-1,3,8-triaza-spiro[4.5]dec-8-yl)-2,2-diphenyl-butyronitrile (1062-15-3) + ethyl iodoacetae (623-48-3) → [8-(3-cyano-3,3-diphenylpropyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-yl]acetic acid ethyl ester (630425-67-1)

Guidance literature:

4-(4-oxo-1-phenyl-1,3,8-triaza-spiro[4.5]dec-8-yl)-2,2-diphenyl-butyronitrile; With sodium hydride; In DMF (N,N-dimethyl-formamide); for 0.0333333h;

ethyl iodoacetae; In DMF (N,N-dimethyl-formamide); for 12h;

upstream raw materials:

4-bromo-2,2-diphenylbutyronitrile

1-Phenyl-1,3,8-triaza-spiro[4.5]decan-4-one

Downstream raw materials:

[8-(3-cyano-3,3-diphenylpropyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-yl]acetic acid ethyl ester

[8-(3-cyano-3,3-diphenylpropyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-yl]acetic acid