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CAS

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78739-67-0

(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 unique molecular structure. It is characterized by an octahydro (eight hydrogen atoms) framework, with a dimethyl (two methyl groups) substitution at the 8th carbon position. The molecule features a methylene (CH2) group at the 3rd position, which is part of a 3a,7-ethano bridge connecting the indene core. The 2-oxo group indicates the presence of a carbonyl (C=O) double bond, and the 4-carboxylic acid functional group signifies a carboxylic acid (COOH) at the 4th position. (3aR*,4S*,7S*,7aS*)-octahydro-8,8-dimethyl-3-methylene-2-oxo-3a,7-ethano-3aH-indene-4-carboxylic acid's chiral centers at the 3a, 4, 7, and 7a positions are all in their respective R and S configurations, as indicated by the asterisked prefixes. The compound's specific arrangement and functional groups contribute to its chemical properties and potential applications in various fields, such as pharmaceuticals or materials science.

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  • (3aR*,4S*,7S*,7aS*)-octahydro-8,8-dimethyl-3-methylene-2-oxo-3a,7-ethano-3aH-indene-4-carboxylic acid

    Cas No: 78739-67-0

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  • 78739-67-0 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:78739-67-0
    4. Molecular Formula:
    5. Molecular Weight: 248.322
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 78739-67-0.mol

  • 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(78739-67-0)
    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(78739-67-0)

  • 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: 78739-67-0(Hazardous Substances Data)

78739-67-0 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 78739-67-0 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,8,7,3 and 9 respectively; the second part has 2 digits, 6 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 78739-67:
(7*7)+(6*8)+(5*7)+(4*3)+(3*9)+(2*6)+(1*7)=190
190 % 10 = 0
So 78739-67-0 is a valid CAS Registry Number.

78739-67-0Relevant 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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