56017-85-7

Basic information

• Product Name: 1,3-Dioxolane, 4-ethynyl-2,2-dimethyl-, (4S)- (9CI)
• Synonyms: 1,3-Dioxolane, 4-ethynyl-2,2-dimethyl-, (4S)- (9CI)
• CAS NO: 56017-85-7
• Molecular Formula: C₇H₁₀O₂
• Molecular Weight: 126.1531
• Mol File: 56017-85-7.mol
• Article Data: 19

Chemical Properties

• Boiling Point: 129.6±35.0 °C(Predicted)
• Appearance: /
• Density: 1.01±0.1 g/cm3(Predicted)
• CAS DataBase Reference: 1,3-Dioxolane, 4-ethynyl-2,2-dimethyl-, (4S)- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3-Dioxolane, 4-ethynyl-2,2-dimethyl-, (4S)- (9CI)(56017-85-7)
• EPA Substance Registry System: 1,3-Dioxolane, 4-ethynyl-2,2-dimethyl-, (4S)- (9CI)(56017-85-7)

Safety Data

• Hazardous Substances Data: 56017-85-7(Hazardous Substances Data)

Usage

Description

1,3-Dioxolane, 4-ethynyl-2,2-dimethyl-, (4S)(9CI) is an organic compound characterized by its unique molecular structure, featuring a dioxolane ring with an ethynyl group and two methyl groups at the 2nd position. 1,3-Dioxolane, 4-ethynyl-2,2-dimethyl-, (4S)(9CI) is known for its potential applications in various chemical and pharmaceutical processes due to its distinct structural properties.

Uses

Used in Chemical Synthesis:
1,3-Dioxolane, 4-ethynyl-2,2-dimethyl-, (4S)(9CI) is used as a reagent for the synthesis of red-emissive fluorophores and near-infrared (NIR) dyes. Its unique structure allows for the creation of these specialized dyes, which have various applications in different industries.
Used in Analytical Chemistry:
In the field of analytical chemistry, 1,3-Dioxolane, 4-ethynyl-2,2-dimethyl-, (4S)(9CI) can be employed as a component in the development of novel detection methods and imaging techniques, taking advantage of the red-emissive properties of the synthesized fluorophores.
Used in Pharmaceutical Industry:
1,3-Dioxolane, 4-ethynyl-2,2-dimethyl-, (4S)(9CI) may also find use in the pharmaceutical industry, where the synthesized NIR dyes can be utilized for various diagnostic and therapeutic applications, such as in the tracking of drug delivery and monitoring of biological processes.
Used in Material Science:
In material science, 1,3-Dioxolane, 4-ethynyl-2,2-dimethyl-, (4S)(9CI) and its derived products can be used in the development of advanced materials with specific optical properties, such as light-emitting devices or sensors.
Overall, 1,3-Dioxolane, 4-ethynyl-2,2-dimethyl-, (4S)(9CI) is a versatile compound with a wide range of potential applications across various industries, including chemical synthesis, analytical chemistry, pharmaceuticals, and material science. Its unique structural properties make it a valuable reagent for the development of red-emissive fluorophores and NIR dyes, which can be utilized in numerous applications.

Upstream product

• 90965-06-3 dimethyl 1-(1-diazo-2-oxopropyl)phosphonate 
• 5736-03-8 (d,l) isopropylidene glyceraldehyde 
• 52373-72-5 methyl (R)-2,2-dimethyl-1,3-dioxolane-4-carboxylate 
• 60456-21-5 methyl (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate 
• 22323-80-4 (4S)-2,2-dimethyl-[1,3]dioxolane-4-carbaldehyde 
• 145397-30-4 C₈H₂₁N₄PSi 
• 15186-48-8 2,3-isopropylidene-glyceraldehyde 
• 56017-84-6 4-(2,2-Dibromoethenyl)-2,2-dimethyl-1,3-dioxolane 
• 56017-84-6 (4S)-4-(2,2-dibromoethenyl)-2,2-dimethyl-1,3-dioxolane 
• 1707-77-3 1,2:5,6-di-O-isopropylidene-D-mannitol 

Downstream Products

• 532402-41-8 2-[(E)-2-((S)-2,2-Dimethyl-[1,3]dioxolan-4-yl)-vinyl]-4,4,5,5-tetraphenyl-[1,3,2]dioxaborolane 
• 330652-60-3 (4S,5S,4''S)-2-[(E)-2-(2,2-Dimethyl-1,3-dioxolan-4-yl)ethenyl]-4,5-bis(methoxydiphenylmethyl)-1,3,2-dioxaborolane 
• 1413383-43-3 (2R,3R,4R,5R,6S)-3,4-bis(benzyloxy)-2-[(benzyloxy)methyl]-6-[(S)-2',2'-dimethyl-1',3'-dioxolan-4'-yl]-1-azabicyclo[3.2.0]heptan-7-one 
• 1413382-71-4 (2S,3S,5R,6R)-3-(benzyloxy)-2-[(benzyloxy)methyl]-6-[(S)-2',2'-dimethyl-1',3'-dioxolan-4'-yl]-1-azabicyclo[3.2.0]heptan-7-one 
• 1413382-75-8 (2S,3S,4S,5S,6R)-3,4-bis(benzyloxy)-2-[(benzyloxy)methyl]-6-[(S)-2',2'-dimethyl-1',3'-dioxolan-4'-yl]-1-azabicyclo[3.2.0]heptan-7-one 
• 1413382-77-0 (2S,3S,4S,5S,6S)-3,4-bis(benzyloxy)-2-[(benzyloxy)methyl]-6-[(S)-2',2'-dimethyl-1',3'-dioxolan-4'-yl]-1-azabicyclo[3.2.0]heptan-7-one 
• 1413382-79-2 (2S,3S,4S,5R,6S)-3,4-bis(benzyloxy)-2-[(benzyloxy)methyl]-6-[(S)-2',2'-dimethyl-1',3'-dioxolan-4'-yl]-1-azabicyclo[3.2.0]heptan-7-one 
• 1413383-45-5 (2R,3R,4R,5R,6R)-3,4-bis(benzyloxy)-2-[(benzyloxy)methyl]-6-[(S)-2',2'-dimethyl-1',3'-dioxolan-4'-yl]-1-azabicyclo[3.2.0]heptan-7-one 
• 216971-50-5 C₃₄H₃₅N₂O₅P 
• 330652-59-0 (4R,5R,4''S)-2-[(E)-2-(2,2-Dimethyl-1,3-dioxolan-4-yl)ethenyl]-4,5-bis(methoxydiphenylmethyl)-1,3,2-dioxaborolane 

Relevant articles and documents

Total Synthesis of Oxidized Phospholipids. 3. The (11E)-9-Hydroxy-13-oxotridec-11-enoate Ester of 2-Lysophosphatidylcholine

A total synthesis of (11E)-9-hydroxy-13-oxotridec-11-enoate ester of 2-lysophosphatidylcholine (HOT-PC) was devised to facilitate identification of this oxidized phospholipid. A lactone, 8-(3-oxo-1H,6H-2-oxinyl)octanoic acid (1), believed to be generated through an intermediate (11E)-9-hydroxy-13-oxotridec-11-enoic acid (HOT), is produced upon autoxidation of linoleic acid. A synthesis of lactone 1 methyl ester was accomplished from HOT involving a novel trans-cis isomerization that is driven to completion by cyclization to a hemiacetal. An alternative route to this carbon skeleton was also acheived that provides the lactone 1 itself.

RAPIDLY ACCELERATING FIBROSARCOMA PROTEIN DEGRADING COMPOUNDS AND ASSOCIATED METHODS OF USE

Bifunctional compounds, which find utility as modulators of Rapidly Accelerated Fibrosarcoma (Raf, such as c-Raf, A-Raf, and/or B-Raf), are described herein. In particular, the hetero-bifunctional compounds of the present disclosure contain on one end a moiety that binds to the cereblon E3 ubiquitin ligase and on the other end a moiety which binds Raf, such that the target protein is placed in proximity to the ubiquitin ligase to effect degradation (and inhibition) of target protein. The hetero-bifunctional compounds of the present disclosure exhibit a broad range of pharmacological activities associated with degradation/inhibition of target protein. Diseases or disorders that result from aberrant regulation of the target protein are treated or prevented with compounds and compositions of the present disclosure.

Diastereoselective synthesis of β-lactams via Kinugasa reaction of acyclic chiral nitrones

An approach to β-lactams via a Kinugasa reaction between chiral copper acetylides and chiral acyclic nitrones bearing either 1,3-dioxane or 1,3-dioxolane moieties is reported. The stereochemical preferences observed in these reactions are discussed. The reaction provides access to a variety of interesting β-lactam structures. Electronic circular dichroism in combination with NMR spectroscopy was shown to be a useful and effective method for the reliable determination of the absolute configuration of all components of a complex mixtures of azetidinones. The effectiveness of the chiral analysis of complex mixtures was demonstrated for HPLC coupled on-line with electronic circular dichroism detection as well.

Synthesis, structure and pyrolysis of stabilised phosphonium ylides containing saturated oxygen heterocycles

A range of twelve stabilised phosphonium ylides containing tetrahydrofuran, tetrahydropyran or 2,2-dimethyl-1,3-dioxolane rings have been prepared and fully characterised, including one X-ray structure determination of each type. The X-ray structures confirm the P=C and C=O functions to be syn and all the compounds undergo thermal extrusion of Ph3PO to give the corresponding alkynes. In some cases there is also competing loss of Ph3P to give different carbene-derived products and evidence has been obtained for the generation of 2-phenyloxete in this way. Raising the pyrolysis temperature leads in several cases to new secondary reactions of the alkyne products involving a sequence of alkyne to vinylidene isomerisation, intramolecular CH insertion, and retro Diels Alder reaction.