(E)-2-(3,5-Hexadienyl)-5-methylfuran

Base Information

• Chemical Name: (E)-2-(3,5-Hexadienyl)-5-methylfuran
• CAS No.: 5159-44-4
• Molecular Formula: C11H14 O
• Molecular Weight: 162.232
• Hs Code.: 2932190090
• European Community (EC) Number: 225-934-8
• DSSTox Substance ID: DTXSID601270462
• Nikkaji Number: J297.918G
• Mol file: 5159-44-4.mol

Synonyms:5159-44-4;(E)-2-(3,5-Hexadienyl)-5-methylfuran;EINECS 225-934-8;(E)-2-(Hexa-3,5-dien-1-yl)-5-methylfuran;SCHEMBL11811633;SCHEMBL11811642;DTXSID601270462;AKOS006278934;2-[(E)-3,5-Hexadienyl]-5-methylfuran;2-(3,5-HEXADIENYL)-5-METHYLFURAN;Furan, 2-(3,5-hexadienyl)-5-methyl-, (E)-

Chemical Property of (E)-2-(3,5-Hexadienyl)-5-methylfuran

Chemical Property:

• Vapor Pressure: 0.19mmHg at 25°C
• Boiling Point: 217.9°Cat760mmHg
• Flash Point: 77.8°C
• PSA: 13.14000
• Density: 0.921g/cm³
• LogP: 3.26280
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 162.104465066
• Heavy Atom Count: 12
• Complexity: 160

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(O1)CCC=CC=C
• Isomeric SMILES: CC1=CC=C(O1)CC/C=C/C=C

Technology Process of (E)-2-(3,5-Hexadienyl)-5-methylfuran

There total 4 articles about (E)-2-(3,5-Hexadienyl)-5-methylfuran 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:

3-(5-methylfuran-2-yl)propanal (34756-16-6) → 2-((E)-Hexa-3,5-dienyl)-5-methyl-furan (5159-44-4)

Guidance literature:

Multi-step reaction with 4 steps

1: tetrahydrofuran

2: DIBAL / diethyl ether; toluene

3: PCC / CH₂Cl₂ / 2 h / 0 grad C to room temp.

With diisobutylaluminium hydride; pyridinium chlorochromate; In tetrahydrofuran; diethyl ether; dichloromethane; toluene;

DOI:10.1016/S0040-4039(00)99046-4

Reference yield:

(E)-5-(5-Methyl-furan-2-yl)-pent-2-en-1-ol (88909-17-5) → 2-((E)-Hexa-3,5-dienyl)-5-methyl-furan (5159-44-4)

Guidance literature:

Multi-step reaction with 2 steps

1: PCC / CH₂Cl₂ / 2 h / 0 grad C to room temp.

With pyridinium chlorochromate; In dichloromethane;

DOI:10.1016/S0040-4039(00)99046-4

Reference yield:

(E)-5-(5-Methyl-furan-2-yl)-pent-2-enoic acid ethyl ester (88909-16-4) → 2-((E)-Hexa-3,5-dienyl)-5-methyl-furan (5159-44-4)

Guidance literature:

Multi-step reaction with 3 steps

1: DIBAL / diethyl ether; toluene

2: PCC / CH₂Cl₂ / 2 h / 0 grad C to room temp.

With diisobutylaluminium hydride; pyridinium chlorochromate; In diethyl ether; dichloromethane; toluene;

DOI:10.1016/S0040-4039(00)99046-4

upstream raw materials:

(E)-5-(5-Methyl-furan-2-yl)-pent-2-enal

Methylenetriphenylphosphorane

3-(5-methylfuran-2-yl)propanal

(E)-5-(5-Methyl-furan-2-yl)-pent-2-en-1-ol

Refernces