Bis(4-dimethylaminophenyl)acetylene

Base Information

• Chemical Name: Bis(4-dimethylaminophenyl)acetylene
• CAS No.: 62063-67-6
• Molecular Formula: C18H20N2
• Molecular Weight: 264.37
• Hs Code.: 2921590090
• DSSTox Substance ID: DTXSID30575594
• Nikkaji Number: J966.907H
• Wikidata: Q82464994
• Mol file: 62063-67-6.mol

Synonyms:62063-67-6;BIS(4-DIMETHYLAMINOPHENYL)ACETYLENE;4-[2-[4-(dimethylamino)phenyl]ethynyl]-N,N-dimethylaniline;4,4'-(ethyne-1,2-diyl)bis(N,N-diMethylaniline);SCHEMBL770159;DTXSID30575594

Chemical Property of Bis(4-dimethylaminophenyl)acetylene

Chemical Property:

• PSA: 6.48000
• LogP: 3.21840
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 264.162648646
• Heavy Atom Count: 20
• Complexity: 312

Purity/Quality:

95% ^*data from raw suppliers

BIS(4-DIMETHYLAMINOPHENYL)ACETYLENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN(C)C1=CC=C(C=C1)C#CC2=CC=C(C=C2)N(C)C

Technology Process of Bis(4-dimethylaminophenyl)acetylene

There total 15 articles about Bis(4-dimethylaminophenyl)acetylene 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: 97.0%

4,4'-Bis--benzil-bis-hydrazon (38027-35-9) → bis(4-dimethylaminophenyl)ethyne (62063-67-6)

Guidance literature:

With oxygen; salcomine; In methanol; chloroform; for 2h; Ambient temperature;

Reference yield: 94.0%

4-butynyl-N,N-dimethylaniline → bis(4-dimethylaminophenyl)ethyne (62063-67-6)

Guidance literature:

With 4-nitro-phenol; CH₃CH₂CMo[N(t-Bu)(3,5-C₆H₃Me₂)]3; In various solvent(s); at 30 ℃; for 22h; under 1 Torr;

DOI:10.1021/ja0379868

Reference yield: 86.0%

bis(p-dimethylaminophenyl)methanone (90-94-8) + diazomethyl-trimethyl-silane (18107-18-1) → bis(4-dimethylaminophenyl)ethyne (62063-67-6)

Guidance literature:

diazomethyl-trimethyl-silane; With n-butyllithium; In diethyl ether; hexane; at 0 ℃; for 1h;

bis(p-dimethylaminophenyl)methanone; In tetrahydrofuran; diethyl ether; hexane; at 0 - 20 ℃; for 2h;

DOI:10.1021/ja309141r

upstream raw materials:

4,4'-Bis--benzil-bis-hydrazon

4-Iodo-N,N-dimethylaniline

acetylene

2,2-dichloro-1,1-bis(4-dimethylaminophenyl)ethylene

Downstream raw materials:

2-{2-[4-(dimethylamino)phenyl]-2-[2,3,4,5-tetrakis((triisopropylsilyl)ethynyl)cyclopenta-2,4-dien-1-ylidene]ethylidene}malononitrile

4,4'-bis(dimethylamino)benzil

Refernces

• 1、 Cencer, Morgan M.,Greenlee, Andrew J.,Moore, Jeffrey S.. "Quantifying Error Correction through a Rule-Based Model of Strand Escape from an [ n]-Rung Ladder". . p. 162 - 168. Retrieved 2020/01/03.
• 2、 Donckele, Etienne J.,Finke, Aaron D.,Ruhlmann, Laurent,Boudon, Corinne,Trapp, Nils,Diederich, Fran?ois. "The [2 + 2] Cycloaddition-Retroelectrocyclization and [4 + 2] Hetero-Diels-Alder Reactions of 2-(Dicyanomethylene)indan-1,3-dione with Electron-Rich Alkynes: Influence of Lewis Acids on Reactivity". supporting information. p. 3506 - 3509. Retrieved 2015/07/28.