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5945-41-5

(3aS)-3,3a,4,4a,7aα,8,9,9aβ-Octahydro-4β-hydroxy-4aβ,8α-dimethyl-3-methyleneazuleno[6,5-b]furan-2,5-dione is an organic compound characterized by its complex molecular structure. It features a furan ring with a dione group and is adorned with multiple methyl and hydroxy groups attached to various carbon atoms. As a bicyclic compound with a furan ring and a lactone group, it contains several stereocenters. While the exact properties and applications of this chemical are not immediately apparent, its structural composition hints at potential uses in organic synthesis, pharmaceuticals, or other industrial applications. Further research and analysis are necessary to fully comprehend and exploit the capabilities of this compound.

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  • Azuleno[6,5-b]furan-2,5-dione,3,3a,4,4a,7a,8,9,- 9a-octahydro-4-hydroxy-4a,8-dimethyl-3- methylene-,(3aS,4R,4aR,7aR,8R,9aS)-

    Cas No: 5945-41-5

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  • 5945-41-5 Structure

  • Basic information

    1. Product Name: (3aS)-3,3a,4,4a,7aα,8,9,9aβ-Octahydro-4β-hydroxy-4aβ,8α-dimethyl-3-methyleneazuleno[6,5-b]furan-2,5-dione
    2. Synonyms: (3aS)-3,3a,4,4a,7aα,8,9,9aβ-Octahydro-4β-hydroxy-4aβ,8α-dimethyl-3-methyleneazuleno[6,5-b]furan-2,5-dione;Mexicanin I;Mexiconin i;Nsc136050
    3. CAS NO:5945-41-5
    4. Molecular Formula: C15H18O4
    5. Molecular Weight: 262.30102
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 5945-41-5.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 473°Cat760mmHg
    3. Flash Point: 179.9°C
    4. Appearance: /
    5. Density: 1.25g/cm3
    6. Vapor Pressure: 6.18E-11mmHg at 25°C
    7. Refractive Index: 1.565
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: (3aS)-3,3a,4,4a,7aα,8,9,9aβ-Octahydro-4β-hydroxy-4aβ,8α-dimethyl-3-methyleneazuleno[6,5-b]furan-2,5-dione(CAS DataBase Reference)
    11. NIST Chemistry Reference: (3aS)-3,3a,4,4a,7aα,8,9,9aβ-Octahydro-4β-hydroxy-4aβ,8α-dimethyl-3-methyleneazuleno[6,5-b]furan-2,5-dione(5945-41-5)
    12. EPA Substance Registry System: (3aS)-3,3a,4,4a,7aα,8,9,9aβ-Octahydro-4β-hydroxy-4aβ,8α-dimethyl-3-methyleneazuleno[6,5-b]furan-2,5-dione(5945-41-5)

  • 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: 5945-41-5(Hazardous Substances Data)

5945-41-5 Usage

Uses

Used in Organic Synthesis:
(3aS)-3,3a,4,4a,7aα,8,9,9aβ-Octahydro-4β-hydroxy-4aβ,8α-dimethyl-3-methyleneazuleno[6,5-b]furan-2,5-dione is used as an intermediate in organic synthesis for its complex molecular structure and multiple functional groups, which can be manipulated to create a variety of other compounds.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, (3aS)-3,3a,4,4a,7aα,8,9,9aβ-Octahydro-4aβ,8α-dimethyl-3-methyleneazuleno[6,5-b]furan-2,5-dione is used as a potential candidate for drug development due to its unique stereochemistry and functional groups that may exhibit biological activity.
Used in Material Science:
(3aS)-3,3a,4,4a,7aα,8,9,9aβ-Octahydro-4β-hydroxy-4aβ,8α-dimethyl-3-methyleneazuleno[6,5-b]furan-2,5-dione may be utilized in material science as a component in the development of new materials with specific properties, such as polymers with tailored characteristics.

Check Digit Verification of cas no

The CAS Registry Mumber 5945-41-5 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,9,4 and 5 respectively; the second part has 2 digits, 4 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 5945-41:
(6*5)+(5*9)+(4*4)+(3*5)+(2*4)+(1*1)=115
115 % 10 = 5
So 5945-41-5 is a valid CAS Registry Number.
InChI:InChI=1/C15H18O4/c1-7-6-10-12(8(2)14(18)19-10)13(17)15(3)9(7)4-5-11(15)16/h4-5,7,9-10,12-13,17H,2,6H2,1,3H3/t7-,9+,10+,12-,13-,15+/m1/s1

5945-41-5SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name Mexiconin I

1.2 Other means of identification

Product number -
Other names dl-Mexicanin I

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:5945-41-5 SDS

5945-41-5Upstream product

5945-41-5Relevant articles and documents

Helenanolides: Stereocontrolled Total Synthesis of dl-Bigelovin, dl-Mexicanin I, and dl-Linifolin A

Grieco, Paul A.,Ohfune, Yasufumi,Majetich, George F.

, p. 360 - 366 (2007/10/02)

Stereocontrolled total syntheses of the sesquiterpene lactones dl-bigelovin (11), dl-mexicanin I (12), and dl-linifolin A (13) are described.The syntheses start with the hydroazulenone 4 and proceed via the key epoxy alkohol 9.Elaboration of 9 into the tricyclic γ-lactone 14 dl-bigelovin. α-methylenation.Subsequent oxidation at C(4) completes the synthesis of dl-bigelovin.Epoxide opening of 9 with dilithioacetate provides access to tricyclic lactone 23 which gives way to 24 via reduction of ketone 25.Cleavage of the benzyl ether in 24 followed by α-methylenationand oxidation generates dl-mexicanin I.Acetylation of 12 affords dl-linifolin A.

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