1730-95-6

Basic information

• Product Name: (3S,6S)-3,6-dimethyloctane
• Synonyms: (3S,6S)-3,6-dimethyloctane
• CAS NO: 1730-95-6
• Molecular Weight: 142.285
• Mol File: 1730-95-6.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: (3S,6S)-3,6-dimethyloctane(CAS DataBase Reference)
• NIST Chemistry Reference: (3S,6S)-3,6-dimethyloctane(1730-95-6)
• EPA Substance Registry System: (3S,6S)-3,6-dimethyloctane(1730-95-6)

Safety Data

• Hazardous Substances Data: 1730-95-6(Hazardous Substances Data)

Upstream product

• 13038-22-7 non-8-en-1-yl acetate 
• 65960-04-5 (S)-(+)-7-methyl-1-nonene 
• 534-00-9 (S)-2-methylbutyl bromide 
• 18922-06-0 hex-5-enyl 4-methylbenzenesulfonate 
• 1623-99-0 phenyl sodium 

Relevant articles and documents

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Pheromone synthesis. Part 240: Cross-metathesis with Grubbs I (but not Grubbs II) catalyst for the synthesis of (R)-trogodermal (14-methyl-8-hexadecenal) to study the optical rotatory powers of compounds with a terminal sec-butyl group

(R)-Trogodermal (14-methyl-8-hexadecenal), the sex pheromone of Trogoderma species of pest insects against stored products, and its (S)-isomer were synthesized by using olefin cross-metathesis between (R)- or (S)-7-methyl-1-nonene and 8-nonenyl acetate as the key step. This step was successful with Grubbs I but not with Grubbs II catalyst. The latter caused randomization of the carbon skeleton to give a mixture of abnormal products with both longer or shorter carbon chains than the desired product. The specific rotations of 18 newly and 6 previously synthesized compounds with a terminal sec-butyl group were measured to conclude them to be [α]D +3.5 to +6.5 or -3.6 to -6.4.