N-[4-(Diphenylphosphanyl)buta-1,3-diyn-1-yl]-N-methylaniline

Base Information

• Chemical Name: N-[4-(Diphenylphosphanyl)buta-1,3-diyn-1-yl]-N-methylaniline
• CAS No.: 82505-84-8
• Molecular Formula: C₂₃H₁₈NP
• Molecular Weight: 339.376
• DSSTox Substance ID: DTXSID40512894
• Wikidata: Q82372326
• Mol file: 82505-84-8.mol

Synonyms:82505-84-8;DTXSID40512894;N-[4-(Diphenylphosphanyl)buta-1,3-diyn-1-yl]-N-methylaniline

Chemical Property of N-[4-(Diphenylphosphanyl)buta-1,3-diyn-1-yl]-N-methylaniline

Chemical Property:

• XLogP3: 5.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 339.117686576
• Heavy Atom Count: 25
• Complexity: 505

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: CN(C#CC#CP(C1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3

Technology Process of N-[4-(Diphenylphosphanyl)buta-1,3-diyn-1-yl]-N-methylaniline

There total 4 articles about N-[4-(Diphenylphosphanyl)buta-1,3-diyn-1-yl]-N-methylaniline 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: 50.0%

C11H8LiN (350244-59-6) + chloro-diphenylphosphine (1079-66-9,74391-44-9) → N-<4-(Diphenylphosphino)-1,3-butadiinyl>-N-methyl-anilin (82505-84-8)

Guidance literature:

In diethyl ether; for 4h; Ambient temperature;

Reference yield:

lithium N-methylanilide (35954-01-9) → N-<4-(Diphenylphosphino)-1,3-butadiinyl>-N-methyl-anilin (82505-84-8)

Guidance literature:

Multi-step reaction with 2 steps

2: 1) BuLi

With n-butyllithium;

Reference yield:

(3,4,4-Trichloro-N-methyl-N-phenyl-3-buten-1-inyl)amin (82505-76-8) → N-<4-(Diphenylphosphino)-1,3-butadiinyl>-N-methyl-anilin (82505-84-8)

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 / 4 h / Ambient temperature

With n-butyllithium; In diethyl ether; hexane;

upstream raw materials:

(3,4,4-Trichloro-N-methyl-N-phenyl-3-buten-1-inyl)amin

chloro-diphenylphosphine

C₁₁H₈LiN

lithium N-methylanilide

Downstream raw materials:

<4-(Methylphenylamino)-1,3-butadiinyl>diphenylphosphanoxid

<4-(Methylphenylamino)-1,3-butadiinyl>diphenylphosphansulfid