3-Methylenepent-1-yne

Base Information

• Chemical Name: 3-Methylenepent-1-yne
• CAS No.: 1574-34-1
• Molecular Formula: C6H8
• Molecular Weight: 80.1295
• Hs Code.: 2901299090
• European Community (EC) Number: 216-400-5
• UNII: YLF3Q4YK4H
• DSSTox Substance ID: DTXSID5061796
• Nikkaji Number: J206.811G
• Wikidata: Q81989677
• Mol file: 1574-34-1.mol

Synonyms:3-Methylenepent-1-yne;1-Pentyne, 3-methylene-;1574-34-1;3-Methylene-1-pentyne;3-methylidenepent-1-yne;EINECS 216-400-5;YLF3Q4YK4H;2-ethylbut-1-en-3-yne;UNII-YLF3Q4YK4H;DTXSID5061796

Chemical Property of 3-Methylenepent-1-yne

Chemical Property:

• Vapor Pressure: 181mmHg at 25°C
• Boiling Point: 63.8°Cat760mmHg
• Flash Point: °C
• PSA: 0.00000
• Density: 0.754g/cm³
• LogP: 1.58580
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 80.062600255
• Heavy Atom Count: 6
• Complexity: 89.9

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=C)C#C

Technology Process of 3-Methylenepent-1-yne

There total 8 articles about 3-Methylenepent-1-yne 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: 70.0%

meparfynol (77-75-8) → (Z)-3-methylpent-3-en-1-yne (14272-81-2) + (E)-3-methylpent-3-en-2-one (1567-73-3) + 3-ethyl-3-buten-1-yne (1574-34-1) + (E)-3-Methyl-3-penten-1-yne (14272-80-1)

Guidance literature:

With methanesulfonic acid; silica gel; In dichloromethane; for 1.5h; Product distribution; other reagent, time;

DOI:10.1021/jo00118a035

Reference yield:

1-bromo-3-methyl-1,2-pentadiene (10575-70-9) → 3-methylpent-3-en-1-yne (1574-33-0) + 3-diethylamino-3-methyl-1-pentyne (7223-45-2) + 3-ethyl-3-buten-1-yne (1574-34-1)

Guidance literature:

With lithium diethylamide; In diethyl ether; at 25 ℃;

Reference yield:

meparfynol (77-75-8) → (Z)-3-methylpent-3-en-1-yne (14272-81-2) + 3-ethyl-3-buten-1-yne (1574-34-1) + (E)-3-Methyl-3-penten-1-yne (14272-80-1)

Guidance literature:

With pyridine; trichlorophosphate; at 25 ℃; for 2h;

DOI:10.1021/jo00118a035

upstream raw materials:

(2-ethyl-buta-2,3-dienyl)-diisopropyl-amine

3-methoxymethyl-penta-1,2-diene

meparfynol

1-bromo-3-methyl-1,2-pentadiene