N-tert-Butyl-5-(diphenylamino)penta-2,4-diynamide

Base Information

• Chemical Name: N-tert-Butyl-5-(diphenylamino)penta-2,4-diynamide
• CAS No.: 82505-86-0
• Molecular Formula: C₂₁H₂₀N₂O
• Molecular Weight: 316.403
• DSSTox Substance ID: DTXSID60512896
• Wikidata: Q82372329
• Mol file: 82505-86-0.mol

Synonyms:82505-86-0;N-tert-Butyl-5-(diphenylamino)penta-2,4-diynamide;DTXSID60512896

Chemical Property of N-tert-Butyl-5-(diphenylamino)penta-2,4-diynamide

Chemical Property:

• XLogP3: 5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 316.157563266
• Heavy Atom Count: 24
• Complexity: 530

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)NC(=O)C#CC#CN(C1=CC=CC=C1)C2=CC=CC=C2

Technology Process of N-tert-Butyl-5-(diphenylamino)penta-2,4-diynamide

There total 3 articles about N-tert-Butyl-5-(diphenylamino)penta-2,4-diynamide 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:

lithium diphenylamide (5856-89-3) → N-tert-Butyl-5-(diphenylamino)-2,4-pentadiinamid (82505-86-0)

Guidance literature:

Multi-step reaction with 2 steps

2: 1) BuLi, 2) H₂O

With n-butyllithium; water;

Reference yield:

N,N-Diphenyl-N-(3,4,4-trichlor-3-buten-1-inyl)amin (82505-77-9) → N-tert-Butyl-5-(diphenylamino)-2,4-pentadiinamid (82505-86-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.6 N LiBu / diethyl ether; hexane / 1.5 h / Ambient temperature

2: 50 percent / diethyl ether / 0.75 h / Ambient temperature

With n-butyllithium; In diethyl ether; hexane;

Reference yield:

N,N-Diphenyl-N-(3,4,4-trichlor-3-buten-1-inyl)amin (82505-77-9) + Tert-butyl isocyanate (1609-86-5) → N-tert-Butyl-5-(diphenylamino)-2,4-pentadiinamid (82505-86-0)

Guidance literature:

With n-butyllithium; water; Yield given. Multistep reaction;

upstream raw materials:

N,N-Diphenyl-N-(3,4,4-trichlor-3-buten-1-inyl)amin

Tert-butyl isocyanate

lithium diphenylamide