3-Methylpenta-1,2-diene

Base Information

• Chemical Name: 3-Methylpenta-1,2-diene
• CAS No.: 7417-48-3
• Molecular Formula: C6H10
• Molecular Weight: 82.1454
• European Community (EC) Number: 231-033-0
• DSSTox Substance ID: DTXSID60871192
• Nikkaji Number: J278.821G
• Mol file: 7417-48-3.mol

Synonyms:3-Methylpenta-1,2-diene;3-METHYL-1,2-PENTADIENE;7417-48-3;1,2-Pentadiene, 3-methyl-;EINECS 231-033-0;1,2-Pentadiene,3-methyl-;CH2=C=C(CH3)C2H5;DTXSID60871192;1,2-PENTADIENE,3-METHYL

Chemical Property of 3-Methylpenta-1,2-diene

Chemical Property:

• Vapor Pressure: 143mmHg at 25°C
• Melting Point: -94.9°C (estimate)
• Refractive Index: 1.4
• Boiling Point: 70 °C at 760 mmHg
• PSA: 0.00000
• Density: 0.678 g/cm³
• LogP: 2.12760
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 82.078250319
• Heavy Atom Count: 6
• Complexity: 74

Purity/Quality:

99% ^*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-Methylpenta-1,2-diene

There total 10 articles about 3-Methylpenta-1,2-diene 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:

meparfynol (77-75-8) → 3-methyl-1,2-pentadiene (7417-48-3)

Guidance literature:

With hydrogenchloride; und Eintragen des Reaktionsprodukts in eine Loesung von Lithiumalanat in siedendem Dioxan;

DOI:10.1021/jo01119a016

Reference yield:

3-bromopent-1-yne (24480-13-5) → 3-methyl-1,2-pentadiene (7417-48-3)

Guidance literature:

With lithium aluminium tetrahydride; In various solvent(s); at 60 ℃; for 1h; Yield given;

DOI:10.1055/s-1981-29524

Reference yield:

3-chloro-3-methylpent-1-yne (14179-94-3) → 3-methyl-1-pentyne (922-59-8) + 3-methyl-1,2-pentadiene (7417-48-3)

Guidance literature:

With tri-n-butyl-tin hydride;

DOI:10.1021/ja01022a029

upstream raw materials:

meparfynol

3-chloro-3-methylpent-1-yne

3-bromopent-1-yne

triisobutylaluminum

Downstream raw materials:

1-(phenylseleno)-2-(p-tolylsulfonyl)-3-methyl-2-pentene

(Z)-1-(phenylseleno)-2-(p-tolylsulfonyl)-3-methyl-2-pentene

(E)-1-(phenylseleno)-2-(p-tolylsulfonyl)-3-methyl-2-pentene

1-methoxypent-1-en-3-one

Refernces

• 1、 Meijer, J.,Ruitenberg, K.,Westmijze, H.,Vermeer, P.. "Convenient Synthesis of Methyl 3-Alkynedithioates and β,γ-Unsaturated γ-Dithiolactones from Allenyllithium and Allenylsilver(I) Compounds". . p. 551 - 554. Retrieved 2007/10/02.