2,4-Hexadienaldehyd

Base Information

• Chemical Name: 2,4-Hexadienaldehyd
• CAS No.: 80466-34-8
• Molecular Formula: C6H8 O
• Molecular Weight: 96.1289
• DSSTox Substance ID: DTXSID20859279
• Wikidata: Q104922437
• Mol file: 80466-34-8.mol

Synonyms:2,4-Hexadienaldehyd;DTXSID20859279;AKOS030228154;SB85358;FT-0604957

Chemical Property of 2,4-Hexadienaldehyd

Chemical Property:

• Vapor Pressure: 2.97mmHg at 25°C
• Boiling Point: 155.9°C at 760 mmHg
• Flash Point: 67.8°C
• PSA: 17.07000
• Density: 0.857g/cm³
• LogP: 1.31760
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 96.057514874
• Heavy Atom Count: 7
• Complexity: 90.4

Purity/Quality:

97%(Contains isomers) ^*data from raw suppliers

2,4-Hexadienal min. 95.0 % ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=CC=CC=O

Technology Process of 2,4-Hexadienaldehyd

There total 29 articles about 2,4-Hexadienaldehyd 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%

2,4-hexadiene-1-ol (111-28-4) → 2,4-hexadienal (80466-34-8,4488-48-6)

Guidance literature:

With oxygen; 2,3-dicyano-5,6-dichloro-p-benzoquinone; sodium nitrite; In dichloromethane; acetic acid; at 20 ℃; for 20h;

DOI:10.1021/jo202301s

Reference yield: 37.0%

(E)-hexa-1,4-dien-3-ol (91001-07-9) → 2,4-hexadienal (80466-34-8,4488-48-6) + butadienyl methyl ketone (2957-06-4)

Guidance literature:

With dipyridinium dichromate; In dichloromethane; for 8h; Title compound not separated from byproducts; Ambient temperature;

DOI:10.1016/S0040-4039(01)80351-8

Reference yield: 22.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + acetaldehyde (75-07-0,9002-91-9) → 2,4-hexadienal (80466-34-8,4488-48-6) + 2,4,6,8-decatetraenal (40650-87-1) + acrolein (107-02-8,25068-14-8) + crotonaldehyde (123-73-9,4170-30-3)

Guidance literature:

With N-(benzoyl)-L-proline; In N,N-dimethyl acetamide; at 125 ℃; for 3h; Autoclave;

DOI:10.1134/S0965544118120083

upstream raw materials:

piperidine

acetaldehyde

crotonaldehyde

1.1.3.5-tetramethoxy-hexane

Downstream raw materials:

1,1-diethoxy-2,4-hexadiene

12-(3-hydroxy-octa-4,6-dienoyl)-9,10-dimethyl-9,10-dihydro-10,9-oxaazaethano-anthracene

2,4-hexadiene-1-ol

(3E,5Z)-2-(Allyl-phenyl-amino)-hepta-3,5-dienenitrile

Refernces

• 1、 Heath, Rachel S.,Birmingham, William R.,Thompson, Matthew P.,Taglieber, Andreas,Daviet, Laurent,Turner, Nicholas J.. "An Engineered Alcohol Oxidase for the Oxidation of Primary Alcohols". . p. 276 - 281. Retrieved 2019/01/04.
• 2、 Kots,Zabilska,Grigor’ev, Yu. V.,Ivanova. "Ethanol to Butanol Conversion over Bifunctional Zeotype Catalysts Containing Palladium and Zirconium". . p. 925 - 934. Retrieved 2019/08/20.