112709-74-7

Basic information

• Product Name: 1,3-Dioxolane-4-carboxaldehyde, 2,2,5-trimethyl-, (4R-cis)- (9CI)
• Synonyms: 1,3-Dioxolane-4-carboxaldehyde, 2,2,5-trimethyl-, (4R-cis)- (9CI)
• CAS NO: 112709-74-7
• Molecular Formula: C7H12O3
• Molecular Weight: 144.16838
• Product Categories: ALDEHYDE
• Mol File: 112709-74-7.mol
• Article Data: 4

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 1,3-Dioxolane-4-carboxaldehyde, 2,2,5-trimethyl-, (4R-cis)- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3-Dioxolane-4-carboxaldehyde, 2,2,5-trimethyl-, (4R-cis)- (9CI)(112709-74-7)
• EPA Substance Registry System: 1,3-Dioxolane-4-carboxaldehyde, 2,2,5-trimethyl-, (4R-cis)- (9CI)(112709-74-7)

Safety Data

• Hazardous Substances Data: 112709-74-7(Hazardous Substances Data)

Usage

Physical state

Colorless to pale yellow liquid

Odor

Strong floral

Industry use

Fragrance industry

Application

Fragrance ingredient in personal care and household products (soaps, detergents, lotions, perfumes)

Additional use

Flavoring agent in food products

Industrial application

Production of various polymers and resins

Safety precautions

Potential irritant and sensitizing effects on skin and respiratory system; handle with caution

Upstream product

• 96613-68-2 (2S*,3R*)-methyl 2,3-dihydroxybutanoate 
• 38410-81-0 methyl 4(R),5(R)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate 
• 36183-27-4 cis-2,2,5-Trimethyl-1,3-dioxolan-4-carbonsaeure-methylester 
• 162932-15-2 (2S,3R,4S,5S)-2,3-(propane-2,2-dioxy)hexane-1,4,5-triol 
• 111319-77-8 (4S,5R)-2,2,5-trimethyl-1,3-dioxolane-4-methanol 
• 159144-38-4 2,3:4,5-di-O-isopropylidene-D-lyxose diethyldithioacetal 
• 159144-39-5 2,3-O-Isopropyliden-D-lyxose-diethyl-dithioacetal 
• 159247-47-9 5-Deoxy-3,4-O-isopropyliden-D-arabinitol 

Relevant articles and documents

A Simple Synthesis of all four Stereoisomers of 2,2,5-Trimethyl-1,3-dioxolane-4-carbaldehyde

A simple and efficient procedure for the syntheses of all four stereoisomers of the 2,2,5-trimethyl-1,3-dioxolane-4-carbaldehydes 1a-1d has been developed.Starting with readily available aldopentose diethyl dithioacetals 2, 6, 10 and 14, the title compounds were obtained by a selective protecting group strategy and subsequent Raney-nickel reduction, followed by lead tetraacetate cleavage.This procedure allows an application on a multigram scale. - Keywords. 2,2,5-Trimethyl-1,3-dioxolane-4-carbaldehydes, aldopentose diethyl dithioacetals, lead tetraacetate cleavage.

Molecular and Crystal Structure of Hyptolide, a Naturally Occurring α,β-Unsaturated δ-Lactone

Hyptolide, a six-membered, α,β-unsaturated C12 lactone, has been reisolated from Hyptis pectinata Poit.Detailed 1H and 13C NMR spectroscopic studies and a crystal structure determination on the basis of single-crystal X-ray diffraction data collected at 293 K provide evidence for the detailed structure and relative configuration of hyptolide.The crystal structure has been determined from 2261 most significant X-ray intensities and refined to an R factor of 0.065.The space group is P21 and the cell parameters are a = 7.629(2), b = 24.639(3), c = 10.468(2) Angstroem and β = 90.64(2) deg.The absolute configuration is established by synthesis of 10(S),11(R)-dihydroxydodecanoic acid, the enantiomer of an acid previously produced by exhaustive hydrogenation of hyptolide.On the basis of the combined evidence, supported by chiroptical data, hyptolide can now be formulated as 6R-(1Z,3S,5R,6S)-5,6-dihydro-6--2H-pyran-2-one.Its relation to other C12-lactones of natural origin is briefly discussed.