Di-p-tolylbutadiyne

Base Information

• Chemical Name: Di-p-tolylbutadiyne
• CAS No.: 22666-07-5
• Molecular Formula: C18H14
• Molecular Weight: 230.309
• DSSTox Substance ID: DTXSID10391577
• Nikkaji Number: J1.418.081H
• Mol file: 22666-07-5.mol

Synonyms:di-p-tolylbutadiyne;22666-07-5;Di-p-tolylbutadiin;RJKUSAYHEBGVLF-UHFFFAOYSA-;Benzene, 1,1'-(1,3-butadiyne-1,4-diyl)bis[4-methyl-;DTXSID10391577;1,4-Di-p-tolyl-1,3-butadiyne;RJKUSAYHEBGVLF-UHFFFAOYSA-N;AMY11242;STK672714;AKOS005592984;1,1'-buta-1,3-diyne-1,4-diylbis(4-methylbenzene);InChI=1/C18H14/c1-15-7-11-17(12-8-15)5-3-4-6-18-13-9-16(2)10-14-18/h7-14H,1-2H3

Chemical Property of Di-p-tolylbutadiyne

Chemical Property:

• PSA: 0.00000
• LogP: 3.70660
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 230.109550447
• Heavy Atom Count: 18
• Complexity: 335

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C#CC#CC2=CC=C(C=C2)C

Technology Process of Di-p-tolylbutadiyne

There total 86 articles about Di-p-tolylbutadiyne 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: 99.0%

4-n-methylphenylacetylene (766-97-2) → di-p-tolylbutadiyne (22666-07-5)

Guidance literature:

With oxygen; 1,8-diazabicyclo[5.4.0]undec-7-ene; copper dichloride; In tetrahydrofuran; at 20 ℃; for 24h; Air atmosphere;

DOI:10.1071/CH11080

Reference yield: 94.0%

1-(2,2-dibromovinyl)-4-methylbenzene (60512-56-3) → di-p-tolylbutadiyne (22666-07-5)

Guidance literature:

With copper(l) iodide; 1,8-diazabicyclo[5.4.0]undec-7-ene monohydrate; In neat (no solvent); at 25 - 30 ℃; for 2h; Inert atmosphere; Green chemistry;

DOI:10.24820/ARK.5550190.P011.466

Reference yield: 92.0%

(Z)-1-[2-bromovinyl]-4-methylbenzene (73839-44-8) → di-p-tolylbutadiyne (22666-07-5)

Guidance literature:

(Z)-1-[2-bromovinyl]-4-methylbenzene; With 1,8-diazabicyclo[5.4.0]undec-7-ene; In N,N-dimethyl-formamide; for 0.0333333h; Microwave irradiation;

With copper(l) iodide; In N,N-dimethyl-formamide; at 20 ℃; for 8h;

DOI:10.1016/j.cclet.2013.03.016

upstream raw materials:

4-n-methylphenylacetylene

1,5-di-(p-methylphenyl)-1,4-pentadiyn-3-one

phenyl(p-tolylethynyl)selane

(p-tolylethynyl)copper

Downstream raw materials:

trans-1,4-Bis-(4'-phenyl-stilben-4-yl)-butadien-1,4

trans-1,4-Bis-(3',4'-dimethoxy-stilben-4-yl)-butadiin

1,4-bis(4-(E)-styrylphenyl)buta-1,3-diyne

1-phenyl-2,5-di-(p-tolyl)-arsol