(E)-3,7-Dimethyl-2-octenal

Base Information

• Chemical Name: (E)-3,7-Dimethyl-2-octenal
• CAS No.: 57784-35-7
• Molecular Formula: C10H18O
• Molecular Weight: 154.252
• European Community (EC) Number: 260-539-4
• UNII: FDC453K549
• Nikkaji Number: J1.255.739F,J349.074B
• Mol file: 57784-35-7.mol

Synonyms:57069-90-6;SCHEMBL1785861;(E)-3,7-Dimethyl-2-octenal

Chemical Property of (E)-3,7-Dimethyl-2-octenal

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 154.135765193
• Heavy Atom Count: 11
• Complexity: 134

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)CCCC(=CC=O)C
• Isomeric SMILES: CC(C)CCC/C(=C/C=O)/C

Technology Process of (E)-3,7-Dimethyl-2-octenal

There total 24 articles about (E)-3,7-Dimethyl-2-octenal 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: 34.0%

3,7-dimethyl-1-octanal (60018-13-5,81738-03-6,124440-53-5,25795-46-4,5988-91-0) → 3,7-dimethyl-2-octenal (57784-35-7,57784-36-8,57069-90-6)

Guidance literature:

With diisopropylamine; trifluoroacetic acid; 2,3-dicyano-5,6-dichloro-p-benzoquinone; In 1,2-dichloro-ethane; at 80 ℃; for 4h;

DOI:10.1002/adsc.201300919

Reference yield:

(E/Z)-3,7-dimethyl-2,6-octadienal (5392-40-5,96680-15-8) → Citronellol (106-22-9) + 3,7-dimethyl-oct-6-enal (106-23-0,26489-02-1) + 3,7-dimethyl-2-octenal (57784-35-7,57784-36-8,57069-90-6) + geraniol (624-15-7)

Guidance literature:

With hydrogen; platinum on silica; In hexane; at 24.85 ℃; under 15200 Torr; Further Variations:; Catalysts; Temperatures; Product distribution; Kinetics;

DOI:10.1006/jcat.1999.2803

Reference yield:

(E/Z)-3,7-dimethyl-2,6-octadienal (5392-40-5,96680-15-8) → 3,7-dimethyl-oct-6-enal (106-23-0,26489-02-1) + 3,7-dimethyl-1-octanal (60018-13-5,81738-03-6,124440-53-5,25795-46-4,5988-91-0) + 3,7-dimethyl-2-octenal (57784-35-7,57784-36-8,57069-90-6)

Guidance literature:

With hydrogen; palladium/alumina; In hexane; at 40 ℃; under 142511 Torr; Title compound not separated from byproducts;

DOI:10.1016/j.jcat.2004.09.006

upstream raw materials:

3,7-dimethyl-2-octen-1-ol

3,7-dimethyl-oct-1-en-3-ol

1,1-dimethoxy-3,7-dimethyl-octan-3-ol

acetic acid-(3,7-dimethyl-octa-1,2-dienyl ester)

Downstream raw materials:

3,7-dimethyl-1-octanal

2-Methyl-4-isohexylbenzaldehyd

6-Methyl-4,6-bis-(4-methyl-pentyl)-cyclohexa-1,3-dienecarbaldehyde

6-Methyl-4,6-bis-(4-methyl-pentyl)-cyclohexa-1,4-dienecarbaldehyde