1-(But-3-en-1-yn-1-yl)-4-methylbenzene

Base Information

• Chemical Name: 1-(But-3-en-1-yn-1-yl)-4-methylbenzene
• CAS No.: 30011-66-6
• Molecular Formula: C11H10
• Molecular Weight: 142.2
• DSSTox Substance ID: DTXSID10527455
• Nikkaji Number: J1.037.568A
• Wikidata: Q82396662
• Mol file: 30011-66-6.mol

Synonyms:30011-66-6;1-(but-3-en-1-yn-1-yl)-4-methylbenzene;DTXSID10527455

Chemical Property of 1-(But-3-en-1-yn-1-yl)-4-methylbenzene

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 142.078250319
• Heavy Atom Count: 11
• Complexity: 181

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(But-3-en-1-yn-1-yl)-4-methylbenzene

There total 7 articles about 1-(But-3-en-1-yn-1-yl)-4-methylbenzene 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%

Vinyl bromide (593-60-2,25951-54-6) + 4-n-methylphenylacetylene (766-97-2) → 1-(but-3-en-1-yn-1-yl)-4-methylbenzene (30011-66-6)

Guidance literature:

With copper(l) iodide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; diethylamine; In tetrahydrofuran; at 0 - 20 ℃; for 19h; Inert atmosphere;

DOI:10.1021/ol200983s

Reference yield: 71.0%

4-p-tolylbut-3-yn-1-ol (31208-53-4) → 1-(but-3-en-1-yn-1-yl)-4-methylbenzene (30011-66-6)

Guidance literature:

In N,N,N,N,N,N-hexamethylphosphoric triamide; at 250 ℃;

DOI:10.1021/jo00174a021

Reference yield:

4-p-tolylbut-3-yn-1-yl tosylate (87639-42-7) → cyclopropyl-p-tolyl-methanone (7143-76-2) + 1-(but-3-en-1-yn-1-yl)-4-methylbenzene (30011-66-6) + Cyclopropyl-p-tolyl-keton-trifluorethanolketal (55088-87-4) + 4-p-tolylbut-3-yn-1-yl 2,2,2-trifluoroethyl ether

Guidance literature:

With sodium carbonate; In various solvent(s); at 80 ℃; for 216h; Further byproducts given;

DOI:10.1021/jo00174a021

upstream raw materials:

2,2,2-trifluoroethanol

4-p-tolylbut-3-yn-1-yl tosylate

4-p-tolylbut-3-yn-1-ol

4-p-tolylbut-3-yn-1-yl triflate

Downstream raw materials:

1,4-bis(4-methylphenyl)-1-(trimethylsilyl)buta-1,2-diene

1,4-bis(4-methylphenyl)-3-(trimethylsilyl)but-1-yne

1‐(2‐cyclopropylethynyl)‐4‐methylbenzene