Benzene, (3-methyl-3-buten-1-ynyl)-

Base Information

• Chemical Name: Benzene, (3-methyl-3-buten-1-ynyl)-
• CAS No.: 1463-04-3
• Molecular Formula: C11H10
• Molecular Weight: 142.2
• DSSTox Substance ID: DTXSID20450346
• Nikkaji Number: J558.496E
• Wikidata: Q82270009
• Mol file: 1463-04-3.mol

Synonyms:2-methyl-4-phenylbut-1-en-3-yne;(3-Methylbut-3-en-1-yn-1-yl)benzene;Benzene, (3-methyl-3-buten-1-ynyl)-;1463-04-3;DTXSID20450346;RYPDJVWTVQJWOO-UHFFFAOYSA-N;2-Methyl-4-phenyl-1-buten-3-yne;(3-methyl-3-buten-1-ynyl)benzene (I)

Chemical Property of Benzene, (3-methyl-3-buten-1-ynyl)-

Chemical Property:

• PSA: 0.00000
• LogP: 2.61420
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 142.078250319
• Heavy Atom Count: 11
• Complexity: 193

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Benzene, (3-methyl-3-buten-1-ynyl)-

There total 63 articles about Benzene, (3-methyl-3-buten-1-ynyl)- 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%

Diphenyliodonium triflate (66003-76-7) + 2-methylbut-1-en-3-yne (78-80-8) → (3-methylbut-3-en-1-ynyl)benzene (1463-04-3)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; potassium carbonate; In water; N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1021/ol015555t

Reference yield: 99.0%

diphenyliodonium p-toluenesulfonate (6293-66-9) + 2-methylbut-1-en-3-yne (78-80-8) → (3-methylbut-3-en-1-ynyl)benzene (1463-04-3)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; potassium carbonate; In water; N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1021/ol015555t

Reference yield: 92.0%

2-Methyl-4-phenyl-3-butyn-2-ol (1719-19-3) → (3-methylbut-3-en-1-ynyl)benzene (1463-04-3)

Guidance literature:

In 1,2-dichloro-ethane; for 1h; Molecular sieve; Reflux;

DOI:10.1016/j.tetlet.2010.11.113

upstream raw materials:

2-Methyl-4-phenyl-3-butyn-2-ol

2,4-dimethyl-6-phenyl-5-hexyne-2,4-diol

2-phenyl-3,3-dimethyl-1,1-dichlorocyclopropane

phenylacetylene

Downstream raw materials:

2-methyl-4-phenyl-1-(phenylthiol)-3-butyn-2-ol

2-methyl-4-phenyl-1-(phenylsulfinyl)-3-butyn-2-ol

(E)-(3-methyl-4-nitrobut-3-en-1-ynyl)benzene

diethyl 2-methyl-2-(phenylethynyl)cyclopropane-1,1-dicarboxylate