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93219-11-5

(3aR*,4S*,7S*,7aS*)-Octahydro-8,8-dimethyl-3-methylene-2-oxo-3a,7-ethano-3aH-indene-4-carboxylic acid is a complex organic compound with a molecular formula of C15H20O3. It is a chiral molecule, meaning it has a non-superimposable mirror image, and it adopts a specific conformation with the R*, S*, and aS* configurations at the 3a, 4, 7, and 7a positions, respectively. (3aR*,4S*,7S*,7aS*)-octahydro-8,8-dimethyl-3-methylene-2-oxo-3a,7-ethano-3aH-indene-4-carboxylic acid features an octahydroindene core, which is a type of polycyclic aromatic hydrocarbon, with a methyl group at the 8 position, a methylene bridge connecting the 3a and 7 positions, and a carboxylic acid group at the 4 position. The structure is characterized by a seven-membered ring fused to a six-membered ring, with an additional ethano bridge. This chemical is likely to be found in the field of organic chemistry, potentially as an intermediate in the synthesis of pharmaceuticals or other complex organic molecules, due to its intricate structure and functional groups.

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  • 93219-11-5 Structure

  • Basic information

    1. Product Name: (3aR*,4S*,7S*,7aS*)-octahydro-8,8-dimethyl-3-methylene-2-oxo-3a,7-ethano-3aH-indene-4-carboxylic acid
    2. Synonyms:
    3. CAS NO:93219-11-5
    4. Molecular Formula:
    5. Molecular Weight: 248.322
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 93219-11-5.mol
    9. Article Data: 5

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: N/A
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: (3aR*,4S*,7S*,7aS*)-octahydro-8,8-dimethyl-3-methylene-2-oxo-3a,7-ethano-3aH-indene-4-carboxylic acid(CAS DataBase Reference)
    10. NIST Chemistry Reference: (3aR*,4S*,7S*,7aS*)-octahydro-8,8-dimethyl-3-methylene-2-oxo-3a,7-ethano-3aH-indene-4-carboxylic acid(93219-11-5)
    11. EPA Substance Registry System: (3aR*,4S*,7S*,7aS*)-octahydro-8,8-dimethyl-3-methylene-2-oxo-3a,7-ethano-3aH-indene-4-carboxylic acid(93219-11-5)

  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 93219-11-5(Hazardous Substances Data)

93219-11-5 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 93219-11-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 9,3,2,1 and 9 respectively; the second part has 2 digits, 1 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 93219-11:
(7*9)+(6*3)+(5*2)+(4*1)+(3*9)+(2*1)+(1*1)=125
125 % 10 = 5
So 93219-11-5 is a valid CAS Registry Number.

93219-11-5Upstream product

93219-11-5Relevant articles and documents

Total Synthesis of Quadrone and Terrecyclic Acid A

Wender, Paul A.,Wolanin, Donald J.

, p. 4418 - 4420 (2007/10/02)

Syntheses of quadrone (1) and terrecyclic acid A (2a) are described which feature a Diels-Alder cycloaddition, ring expansion sequence for construction of their complex skeletal core and a nickel-mediated coupling reaction which serves as a preparatively useful enone γ-alkylation method.

THE BIOSYNTHESIS OF QUADRONE AND TERRECYCLIC ACID

Cane, David E.,Whittle, Yvonne G.,Liang, Tzyy-Chyau

, p. 1119 - 1122 (2007/10/02)

Feedings of - and acetate to Aspergillus terreus gave quadrone and terrecyclic acid which were analyzed by 13C NMR.The pattern of 13C-enrichments and couplings is consistent with the formation of 1 and 2 by cyclization of farnesyl pyrophosphate.

The Total Synthesis of dl-Quadrone

Danishefsky, Samuel,Vaughan, Kenward,Gadwood, Robert,Tsuzuki, Kazuo

, p. 4136 - 4141 (2007/10/02)

A regio- and stereospecific total synthesis of dl-quadrone (1) is described.The synthesis, which starts with 4,4-dimethylcyclopent-2-en-1-one (5), is accomplished in 19 steps in 3.1percent yield.The key intermediates are the enone ester 4, the iodo ketal 15, the tricyclic keto ester 16, and the hydroxymethyl keto acid 22.The latter as well as the seco acid 2 afford quadrone upon thermolysis.

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