362467-67-2

Basic information

• Product Name: 7-(3-methylbutyl)-2H-1,5-benzodioxepin-3(4H)-one
• Synonyms: 2H-1,5-benzodioxepin-3(4H)-one, 7-(3-methylbutyl)-; 7-(3-Methylbutyl)-2H-1,5-benzodioxepin-3(4H)-one
• CAS NO: 362467-67-2
• Molecular Formula: C₁₄H₁₈O₃
• Molecular Weight: 234.2909
• Mol File: 362467-67-2.mol

Chemical Properties

• Boiling Point: 349.214°C at 760 mmHg
• Flash Point: 156.231°C
• Density: 1.088g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.517
• CAS DataBase Reference: 7-(3-methylbutyl)-2H-1,5-benzodioxepin-3(4H)-one(CAS DataBase Reference)
• NIST Chemistry Reference: 7-(3-methylbutyl)-2H-1,5-benzodioxepin-3(4H)-one(362467-67-2)
• EPA Substance Registry System: 7-(3-methylbutyl)-2H-1,5-benzodioxepin-3(4H)-one(362467-67-2)

Safety Data

• Hazardous Substances Data: 362467-67-2(Hazardous Substances Data)

Upstream product

• 2525-09-9 4-isopentyl-pyrocatechol 
• 534-07-6 1,3-Dichloroacetone 
• 91-16-7 1,2-dimethoxybenzene 
• 503-74-2 3-methylbutyric acid 
• 688348-12-1 7-(3-methyl-butyl)-3-methylene-3,4-dihydro-2H-benzo[b][1,4]dioxepine 
• 132858-47-0 1-(3,4-dimethoxyphenyl)-3-methylbutan-1-one 
• 108996-61-8 1,2-dimethoxy-4-(3-methylbutyl)benzene 

Relevant articles and documents

Method for producing seven-membered diether compounds and intermediates thereof

The invention provides a method for preparing 3,4-dihydro(2H)-1,5-benzodioxepin-3-ones represented by the formula (3): wherein R1, R2, R3 and R4 respectively represent, independently, a hydrogen atom an alkyl group or an alkenyl group, and R1, R2, R3 and R4 as a whole do not comprise more than 10 carbon atoms and that, when the two adjacent groups respectively comprise an alkyl group or an alkenyl group, they may be combined together to form a carbon ring; by reacting either a compound represented by the formula (1a) and/or (1b): wherein X represent a halogen atom; and R1, R2, R3 and R4 are as defined above; or catechols represented by the formula (5): wherein R1, R2, R3 and R4 are as defined above; with 1,3-dihaloacetones in the presence of sodium carbonate, through the removal of hydrogen halide.

Conception, characterization and correlation of new marine odorants

Via a synthetic sequence consisting of PPA-mediated Friedel-Crafts acylation of veratrol (8), Clemmensen reduction, demethylation with TMSI, Williamson ether synthesis employing 3-chloro-2-(chloromethyl)prop-1-ene and in-situ ruthenium tetroxide oxidation, numerous substituted benzo[b][1,4]dioxepinones 15-27 and 2,3-dihydro-1H-5,9-di-oxacyclohepta[f]indenones 7, 13 and 14 were prepared to study their odor-structure correlation. In the course of these studies, we discovered the extremely powerful new marine odorant 7-(3′ -methylbutyl)benzo[b][1,4]dioxepin-3-one (16). On the basis of the measured odor threshold data, an olfactophore model was constructed that rationalizes the observed odor intensities, and indicates an aliphatic hydrophobe at a distance of 6.3 A from the centre of the aromatic-ring binding site. Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2003.

1,2-substituted 2,3-dihydro-1H-5,9-dioxacyclohepta [ f ] inden -7- ones and 7-substituted benzo [ b ] [ 1,4 ] dioxepin -3-ones

The invention relates to 1,2-substituted 2,3-dihydro-1H-5,9-dioxacyclohepta[f]inden-7-ones and 7-substituted benzo[b][1,4]dioxepin-3-ones and to the use of these compounds in fragrance compositions.