3,7-Dimethyl-1-octene

Base Information

• Chemical Name: 3,7-Dimethyl-1-octene
• CAS No.: 4984-01-4
• Molecular Formula: C10H20
• Molecular Weight: 140.269
• European Community (EC) Number: 225-635-2
• NSC Number: 157589
• DSSTox Substance ID: DTXSID30871109
• Nikkaji Number: J125.184H
• Mol file: 4984-01-4.mol

Synonyms:3,7-DIMETHYL-1-OCTENE;3,7-Dimethyloct-1-ene;4984-01-4;1-Octene, 3,7-dimethyl-;2,6-Dimethyl-7-octene;NSC 157589;3,7-dimethyloctene;NSC157589;1-Octene,7-dimethyl-;DTXSID30871109;EINECS 225-635-2;AKOS025293916;NSC-157589;FT-0691481;3,7-Dimethyl-1-octene, >=97.0% (GC)

Chemical Property of 3,7-Dimethyl-1-octene

Chemical Property:

• Vapor Pressure: 3.76mmHg at 25°C
• Refractive Index: n20/D 1.417
• Boiling Point: 156.2°Cat760mmHg
• Flash Point: 43.8°C
• PSA: 0.00000
• Density: 0.74g/cm³
• LogP: 3.63480
• Storage Temp.: 2-8°C
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 5
• Exact Mass: 140.156500638
• Heavy Atom Count: 10
• Complexity: 82

Purity/Quality:

99% ^*data from raw suppliers

3,7-Dimethyl-1-octene ^*data from reagent suppliers

Safty Information:

• Statements: 10

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)CCCC(C)C=C
• General Description: 3,7-Dimethyl-1-octene is an optically active alkene that undergoes double bond migration and racemization during hydrogenation, particularly when catalyzed by palladium-based catalysts, which induce more racemization compared to platinum oxide. The presence of bases such as potassium hydroxide or pyridine can significantly reduce these effects by slowing the rate of double bond migration. 3,7-DIMETHYL-1-OCTENE serves as a model substrate for studying the relationship between hydrogenation conditions and stereochemical outcomes in alkene reactions.

Technology Process of 3,7-Dimethyl-1-octene

There total 7 articles about 3,7-Dimethyl-1-octene 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:

tetrahydrogeraniol (106-21-8,59204-02-3) + Stearoyl chloride (112-76-5) → 3,7-dimethyl-oct-1-ene (4984-01-4)

Guidance literature:

at 150 ℃; Zersetzen des entstandenen Esters bei 360grad;

Reference yield:

3,7-dimethyloctyl acetate (5523-95-5,20780-49-8) → 3,7-dimethyl-oct-1-ene (4984-01-4)

Guidance literature:

at 500 ℃;

Reference yield:

→ N,N,3,7-tetramethyloctan-1-amine (76347-63-2) + 3,7-dimethyl-oct-1-ene (4984-01-4)

Guidance literature:

With potassium hydroxide;

upstream raw materials:

quinoline

1-bromo-3,7-dimethyloctane

tetrahydrogeraniol

Stearoyl chloride

Downstream raw materials:

6,10-dimethyl-undecan-2-one

Refernces

10.1016/0021-9517(63)90005-8

This research investigates the double bond migration and racemization that occur during the hydrogenation of optically active alkenes, aiming to understand the factors influencing these processes and their relationship with the addition reaction. The study utilized several optically active alkenes, including 3,7-dimethyl-1-octene, 3-phenyl-1-butene, and 3-methyl-1-hexene, as well as various catalysts such as palladium-charcoal, platinum oxide, and Lindlar catalyst. The results indicate that double bond migration is primarily responsible for the racemization observed during hydrogenation, with the extent of racemization being significantly influenced by the type of catalyst used, with palladium catalysts causing more racemization than platinum oxide. The presence of bases like potassium hydroxide or pyridine was found to markedly reduce the rate of double bond migration and thus the extent of racemization. The study concludes that the racemization of alkenes during hydrogenation is predominantly due to double bond migration, and the rate of this migration, and consequently racemization, can be controlled by the choice of catalyst and the presence of certain bases.

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