3-Penten-1-yne, 3-methyl-

Base Information

• Chemical Name: 3-Penten-1-yne, 3-methyl-
• CAS No.: 14272-80-1
• Molecular Formula: C₆H₈
• Molecular Weight: 80.1295
• European Community (EC) Number: 216-399-1
• DSSTox Substance ID: DTXSID601309461
• Nikkaji Number: J1.118.094I,J102.112E
• Mol file: 14272-80-1.mol

Synonyms:3-Methylpent-3-en-1-yne;3-Methyl-3-penten-1-yne;1574-33-0;(E)-3-methylpent-3-en-1-yne;3-Penten-1-yne, 3-methyl-;3-methyl-pent-3-en-1-yne;EINECS 216-399-1;3-Methyl-2-penten-4-yne;GRGVQLWQXHFRHO-AATRIKPKSA-N;(E)-3-Methyl-2-pentene-4-yne;DTXSID601309461;(3E)-3-Methyl-3-penten-1-yne;(3E)-3-Methyl-3-penten-1-yne #;14272-80-1

Chemical Property of 3-Penten-1-yne, 3-methyl-

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 80.062600255
• Heavy Atom Count: 6
• Complexity: 98.5

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC=C(C)C#C
• Isomeric SMILES: C/C=C(\C)/C#C

Technology Process of 3-Penten-1-yne, 3-methyl-

There total 2 articles about 3-Penten-1-yne, 3-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: 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:

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

Reference yield:

(E)-3-Methyl-3-penten-1-yne (14272-80-1) → cis-3-Methyl-penten-(3)-in-(1)-phosphonsaeure-dimethylester (22152-34-7)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. KOH, Br₂

With potassium hydroxide; bromine;

upstream raw materials:

meparfynol

Downstream raw materials:

(3E)-3-methylpenta-1,3-diene

(ZZ)-3,7-dimethylocta-2,4-diene

(2E,4E,6E)-3,9-Dimethyl-6-((E)-1-methyl-propenyl)-deca-2,4,6-triene

(2E,4E,7E)-3,7-Dimethyl-6-methylene-nona-2,4,7-triene