Benzene, 1,1'-(1,2-propadiene-1,3-diyl)bis[4-methyl-

Base Information

• Chemical Name: Benzene, 1,1'-(1,2-propadiene-1,3-diyl)bis[4-methyl-
• CAS No.: 61693-01-4
• Molecular Formula: C17H16
• Molecular Weight: 220.314
• DSSTox Substance ID: DTXSID50438930
• Nikkaji Number: J504.724B
• Mol file: 61693-01-4.mol

Synonyms:61693-01-4;Benzene, 1,1'-(1,2-propadiene-1,3-diyl)bis[4-methyl-;DTXSID50438930;1,3-Bis(4-methylphenyl)-1,2-propanediene

Chemical Property of Benzene, 1,1'-(1,2-propadiene-1,3-diyl)bis[4-methyl-

Chemical Property:

• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 220.125200510
• Heavy Atom Count: 17
• Complexity: 235

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzene, 1,1'-(1,2-propadiene-1,3-diyl)bis[4-methyl-

There total 23 articles about Benzene, 1,1'-(1,2-propadiene-1,3-diyl)bis[4-methyl- 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: 73.5%

C17H16Br2 → 1,3-di-p-tolyl-1,2-propadiene (61693-01-4)

Guidance literature:

With methyllithium;

DOI:10.1246/bcsj.67.1405

Reference yield: 70.0%

p-tolualdehyde p-toluenesulfonylhydrazone (40739-81-9) + 4-n-methylphenylacetylene (766-97-2) → 1,3-di-p-tolyl-1,2-propadiene (61693-01-4)

Guidance literature:

With copper(l) iodide; lithium tert-butoxide; In 1,4-dioxane; at 90 ℃; for 1h; Inert atmosphere; Schlenk technique;

DOI:10.1002/chem.201805097

Reference yield: 58.0%

(TiCl2CP(NMe2)3)2 (149133-52-8) + 4-methyl-benzaldehyde (104-87-0) → 1,3-bis(4-methylphenyl)allene (61693-01-4)

Guidance literature:

With NaN(SiMe₃)2; In tetrahydrofuran; react. of aldehyde and Ti compd. in THF at room temp. under N2 in the presence of NaN(SiMe3)2;

upstream raw materials:

sodium methylate

ethyl N-nitroso-N-((E)-2,3-di-p-tolylcyclopropyl)carbamate

tris(dimethylamino)methylidenephosphorane

4-methyl-benzaldehyde

Downstream raw materials:

C₂₆H₂₄⁽²⁾HN