2,4-Nonadienal

Base Information

• Chemical Name: 2,4-Nonadienal
• CAS No.: 6750-03-4
• Deprecated CAS: 157960-14-0
• Molecular Formula: C9H14O
• Molecular Weight: 138.21
• Hs Code.: 2912190090
• European Community (EC) Number: 250-233-9,227-629-5,229-810-4
• UNII: Y411G77SH7
• DSSTox Substance ID: DTXSID30884198
• Nikkaji Number: J60.729K,J224K
• Wikidata: Q27294239
• NCI Thesaurus Code: C83685
• ChEMBL ID: CHEMBL4074177
• Mol file: 6750-03-4.mol

Synonyms:2,4-nonadienal;2E,7Z-nonadienal

Chemical Property of 2,4-Nonadienal

Chemical Property:

• Vapor Pressure: 0.102mmHg at 25°C
• Refractive Index: n20/D 1.5207(lit.)
• Boiling Point: 222.4°Cat760mmHg
• Flash Point: 92.9°C
• PSA: 17.07000
• Density: 0.855g/cm³
• LogP: 2.48790
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 138.104465066
• Heavy Atom Count: 10
• Complexity: 123

Purity/Quality:

98.5% ^*data from raw suppliers

2,4-NONADIENAL 95.00% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Aldehydes
• Canonical SMILES: CCCCC=CC=CC=O
• Isomeric SMILES: CCCC/C=C/C=C/C=O
• Description: 2.4-Nonadienal has a strong fatty, floral odor. It may be prepared by the method of Marshall and Whiting; by reduction with LiAlH4 of dienoic acid prepared by the Doebner synthesis, followed by oxidation of the resulting dienol with Mn02 to the corresponding 2.4-dienol.

Technology Process of 2,4-Nonadienal

There total 6 articles about 2,4-Nonadienal 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: 80.0%

(2E,4E)-1-Iodo-nona-2,4-diene (131947-33-6) → nona-2,4-dien-1-al (6750-03-4)

Guidance literature:

With N-ethylmorpholine N-oxide; In dichloromethane; 1.) RT, 30 min, 2.) reflux, 4 h;

DOI:10.1039/c39900001362

Reference yield:

1,1-diethoxypentane (3658-79-5) → trans,trans-2,4-nonadienal (6750-03-4)

Guidance literature:

Multi-step reaction with 4 steps

1: FeCl₃

2: 4>H₂PO₄

3: aq. H₃PO₄ / ethanol

4: (i) BF₃-Et₂O, ZnCl₂, EtOAc, (ii) NaOAc, aq. AcOH

With ammonium dihydrogen phosphate; phosphoric acid; iron(III) chloride; In ethanol;

Reference yield:

3-Butyl-acrolein (2463-63-0) → trans,trans-2,4-nonadienal (6750-03-4)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. H₃PO₄ / ethanol

2: (i) BF₃-Et₂O, ZnCl₂, EtOAc, (ii) NaOAc, aq. AcOH

With phosphoric acid; In ethanol;

upstream raw materials:

1,1-diethoxy-hept-2-ene

ethyl vinyl ether

1,1-diethoxypentane

3-Butyl-acrolein

Refernces