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Ethanone, 1-(3a,7a-dihydro-1H-inden-1-yl)-, (3aalpha,7aalpha)(9CI) is a unique ketone derivative of 1H-indene, featuring a ketone group attached to the indenyl moiety. This chemical compound is distinguished by the presence of two chiral centers at the 3a and 7a positions, both designated as alpha. Its distinctive stereochemistry may contribute to specific properties and potential applications in various scientific and industrial fields, which warrant further research for a comprehensive understanding.

83572-59-2

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83572-59-2 Usage

Uses

Used in Pharmaceutical Industry:
Ethanone, 1-(3a,7a-dihydro-1H-inden-1-yl)-, (3aalpha,7aalpha)(9CI) is used as a chiral building block for the synthesis of pharmaceutical compounds due to its unique stereochemistry. Ethanone, 1-(3a,7a-dihydro-1H-inden-1-yl)-, (3aalpha,7aalpha)(9CI)'s chiral centers at positions 3a and 7a can be exploited in the development of enantioselective reactions, leading to the production of chiral drugs with improved efficacy and reduced side effects.
Used in Chemical Synthesis:
Ethanone, 1-(3a,7a-dihydro-1H-inden-1-yl)-, (3aalpha,7aalpha)(9CI) serves as a versatile intermediate in organic synthesis, particularly for the preparation of complex organic molecules. Its ketone functionality and chiral centers can be utilized in various synthetic transformations, such as reduction, oxidation, and condensation reactions, to generate a wide range of chemical products.
Used in Material Science:
Ethanone, 1-(3a,7a-dihydro-1H-inden-1-yl)-, (3aalpha,7aalpha)(9CI) may find applications in the development of novel materials with specific properties. Ethanone, 1-(3a,7a-dihydro-1H-inden-1-yl)-, (3aalpha,7aalpha)(9CI)'s unique structure and stereochemistry can be employed to design and synthesize new polymers, catalysts, or other functional materials with tailored characteristics for various applications in material science.
Used in Analytical Chemistry:
Ethanone, 1-(3a,7a-dihydro-1H-inden-1-yl)-, (3aalpha,7aalpha)(9CI) can be utilized as a chiral reference standard or a chiral selector in analytical chemistry. Its distinct stereochemistry can be employed in chiral chromatography, circular dichroism spectroscopy, or other analytical techniques to study the enantiomeric composition of chiral compounds and investigate their interactions with other molecules.

Check Digit Verification of cas no

The CAS Registry Mumber 83572-59-2 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 8,3,5,7 and 2 respectively; the second part has 2 digits, 5 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 83572-59:
(7*8)+(6*3)+(5*5)+(4*7)+(3*2)+(2*5)+(1*9)=152
152 % 10 = 2
So 83572-59-2 is a valid CAS Registry Number.

83572-59-2Relevant academic research and scientific papers

Aromaticity as a Function of the Ion Pair Character: Acceptor-substituted Cyclononatetraenyl Anions, Enolate Anions with Variable Charge Distribution, and Unusual Conformational Properties

Boche, Gernot,Heidenhain, Frank,Thiel, Walter,Eiben, Robert

, p. 3167 - 3190 (2007/10/02)

In contrast to normal enolates like 1-Li+ the conformational properties of the acceptor-substituted cyclononatetraenyl anions 2a-, 2b-, 2c-, amd of the dianion 2d-, are strongly determined by the gegenion, the solvent, and the temperature.Thus, the contact ion pairs 2b-Li+ and 2a-Na+ have properties similar to the ones of the nonafulvene silyl enol ether 7, as shown by the 1H- and 13C NMR spectra and by the facile valence isomerization to the corresponding dihydroindenes.Contrary to the contact ion pairs, the solvent separated ion pairs 2'a- Na+(THF, -45 deg C), 2'a- K+(THF), 2'b- Li+(THF, HMPT), 2'c- Li+(THF), and 2'd- 2Li+(THF), e.g., are substituted annulene anions, again revealed by the 1H and 13C NMR spectra and by the reluctance towards valence isomerization.Therefore, without assoziation of the gegenion (especially of the small Li+) to the potential enolate oxygen atom, the negative charge is preferentially delocalized in the annulene anion ring; 13C NMR spectra and MNDO calculations even indicate that the orthogonal conformation of the annulene anion ring and the substituent is the most favourable one! Comparable ion pair equilibria have been noticed before; the unusual conformational changes transforming reversibly an olefinic into an aromatic compound, which are connected with these ion pair effects, however, are without precedence.Likewise, "orthogonal enolates" are unknown.

Substituted cyclononatetraenes and nonafulvenes

Boche, Gernot,Heidenhain, Frank,Staudigl, Brigitte

, p. 4201 - 4204 (2007/10/13)

Reaction of cis,cis,cis,cis-[9]annulene anion (1) with electrophiles (2a-d) leads to substituted cis,cis,cis,cis-1,3,5,7-cyclononatetraenes (3a-d) which are precursors for the preparation of 10- and 10,10′-donor-substituted nonafulvenes (e.g. 7b′e′). The

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