Heptanal, 2-(2-furanylmethylene)-

Base Information

• Chemical Name: Heptanal, 2-(2-furanylmethylene)-
• CAS No.: 67801-21-2
• Molecular Formula: C12H16O2
• Molecular Weight: 192.258
• European Community (EC) Number: 267-142-5
• UNII: UAS87CEJ9T
• DSSTox Substance ID: DTXSID9070614
• Wikidata: Q76313879
• Mol file: 67801-21-2.mol

Synonyms:Heptanal, 2-(2-furanylmethylene)-;2-(2-Furylmethylene)heptan-1-al;EINECS 267-142-5;2-Furfurylidene-1-heptanal;2-((2-Furanyl)methylene)heptanal;67801-21-2;DTXSID9070614;SCHEMBL10679759

Chemical Property of Heptanal, 2-(2-furanylmethylene)-

Chemical Property:

• Vapor Pressure: 0.0022mmHg at 25°C
• Boiling Point: 289.4°C at 760 mmHg
• Flash Point: 131°C
• PSA: 30.21000
• Density: 0.996g/cm³
• LogP: 3.44220
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 192.115029749
• Heavy Atom Count: 14
• Complexity: 197

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(=CC1=CC=CO1)C=O
• Isomeric SMILES: CCCCC/C(=C\C1=CC=CO1)/C=O

Technology Process of Heptanal, 2-(2-furanylmethylene)-

There total 2 articles about Heptanal, 2-(2-furanylmethylene)- 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:

furfural (98-01-1) + heptanal (111-71-7) → 2-pentyl-2-nonenal (3021-89-4) + 3ξ-[2]furyl-2-pentyl-acrylaldehyde (67801-21-2)

Guidance literature:

With sulfonic acid modified mesoporous aromatic framework synthesized from tetrakis(4-bromophenyl)methane and 1,4-benzenediboronic acid; In N,N-dimethyl-formamide; toluene; at 130 ℃; for 4h; Autoclave; Inert atmosphere;

DOI:10.1134/S107042721906017X

Reference yield:

furfural (98-01-1) + heptanal (111-71-7) → 3ξ-[2]furyl-2-pentyl-acrylaldehyde (67801-21-2)

Guidance literature:

With sodium hydroxide;

upstream raw materials:

furfural

heptanal

Refernces

• 1、 Abbaspourrad, Alireza,Javad Kalbasi, Roozbeh,Zamani, Farzad. "Highly selective aldol condensation using amine-functionalized SiO2-Al2O3 mixed-oxide under solvent-free condition". experimental part. p. 2074 - 2082. Retrieved 2011/06/19.