5-Methylhepta-1,4-diene

Base Information

• Chemical Name: 5-Methylhepta-1,4-diene
• CAS No.: 5678-99-9
• Molecular Formula: C₈H₁₄
• Molecular Weight: 110.199
• DSSTox Substance ID: DTXSID60695512
• Mol file: 5678-99-9.mol

Synonyms:5-Methylhepta-1,4-diene;(E)-5-methylhepta-1,4-diene;DTXSID60695512;FT-0692763

Chemical Property of 5-Methylhepta-1,4-diene

Chemical Property:

• PSA: 0.00000
• LogP: 2.91880
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 110.109550447
• Heavy Atom Count: 8
• Complexity: 88.2

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=CCC=C)C

Technology Process of 5-Methylhepta-1,4-diene

There total 2 articles about 5-Methylhepta-1,4-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:

allyl iodid (556-56-9) + ethylmagnesium bromide (925-90-6) + prop-1-yne (74-99-7) → 5-Methyl-heptadien-1,4, Z (37549-91-0,5678-99-9)

Guidance literature:

Multistep reaction; (i) Cu₂Br₂, Et₂O, (ii) /BRN= 878138/, (iii) /BRN= 1697594/, P(OEt)3, HMPT;

DOI:10.1016/S0022-328X(00)81327-3

Reference yield:

→ 5-Methyl-heptadien-1,4, Z (37549-91-0,5678-99-9)

Guidance literature:

H3C-C-=CH , C2H5Cu / MgBr2 , Allylbromid;

DOI:10.1016/S0022-328X(00)86981-8

Reference yield:

4-amino-3-iodobenzoic acid (2122-63-6) + p-toluenesulfonyl chloride (98-59-9) + 5-methyl-1,4-heptadiene (5678-99-9) → 2-((E)-2-Methyl-but-1-enyl)-1-(toluene-4-sulfonyl)-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid amide

Guidance literature:

With pyridine; 1-methyl-pyrrolidin-2-one; palladium diacetate; (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; lithium chloride; Rink resin; Yield given; Multistep reaction; solid-phase synthesis;

DOI:10.1016/S0040-4039(98)02337-5

upstream raw materials:

allyl iodid

ethylmagnesium bromide

prop-1-yne