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Benzenepropanoic acid, 3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]-b-oxo-, methyl ester is a complex organic compound with the chemical formula C18H15ClNO3. It is a derivative of benzenepropanoic acid, featuring a 7-chloro-2-quinolinyl group attached to a vinyl side chain. The molecule is characterized by its unique structure, which includes a benzene ring, a propanoic acid chain, and a methyl ester group. Benzenepropanoic acid, 3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]-b-oxo-, methyl ester is known for its potential applications in pharmaceuticals, particularly as an intermediate in the synthesis of certain drugs. Its chemical properties and reactivity are influenced by the presence of the chlorine atom and the conjugated double bond within the molecule, which can participate in various chemical reactions.

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  • 878007-04-6 Structure
  • Basic information

    1. Product Name: Benzenepropanoic acid, 3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]-b-oxo-, methyl ester
    2. Synonyms:
    3. CAS NO:878007-04-6
    4. Molecular Formula: C21H16ClNO3
    5. Molecular Weight: 365.816
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 878007-04-6.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: Benzenepropanoic acid, 3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]-b-oxo-, methyl ester(CAS DataBase Reference)
    10. NIST Chemistry Reference: Benzenepropanoic acid, 3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]-b-oxo-, methyl ester(878007-04-6)
    11. EPA Substance Registry System: Benzenepropanoic acid, 3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]-b-oxo-, methyl ester(878007-04-6)
  • 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: 878007-04-6(Hazardous Substances Data)

878007-04-6 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 878007-04-6 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 8,7,8,0,0 and 7 respectively; the second part has 2 digits, 0 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 878007-04:
(8*8)+(7*7)+(6*8)+(5*0)+(4*0)+(3*7)+(2*0)+(1*4)=186
186 % 10 = 6
So 878007-04-6 is a valid CAS Registry Number.

878007-04-6Relevant articles and documents

PREPARATION OF MONTELUKAST AND ITS SALTS

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Page/Page column 29, (2008/12/05)

There is provided a process for the preparation of montelukast of the Formula (I).

A PROCESS FOR SYNTHESIZING DIOL (VIII)-AN INTERMEDIATE OF MONTELUKAST SODIUM

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Page/Page column 22, (2010/10/20)

A process comprises preparing benzaldehyde of formula I in a conventional manner, reacting the said benzaldehyde I with Grignard reagent in water miscible etheral solvent to precipitate the alcohol of formula (II) by addition of ammonium salt and water followed by isolating the alcohol thus precipitated by any known methods and then oxidizing directly under "Swern's conditions" to get a ketone of formula m, enolizing the said ketone in presence of a mild base such as alkali metal alkoxide and then reacting it with dialkyl carbonate under conditions effective to yield a β- ketoester of formula IV, benzylating the said β-ketoester so obtained in the preceding step to form the benzoate of formula V in presence of mild inorganic base followed by decarboxylating the said benzoate to a mixture of a ketoester of formula VI and its corresponding acid of formula VIA in the presence of acidic conditions, alkylating the acid VIA present in the mixture in the preceding step to obtain ketoester of formula VI and purifying it if so desired, asymmetrically reducing the ketoester of formula VI, to a chiral alcohol of formula VII using (-) diisopinocamphenylchloroborane (-DIPC1) in presence of less than 4 times v/w aprotic solvent and optionally in presence of Lewis base with respect to the said ketoester of formula VI, treating the said chiral alcohol VII with cerium halo salt, and alkylmagnesium halide followed by isolating the title compound using hyflow supercel and ammonium chloride to get the intermediate diol of formula VIII. Atemately, the said alcohol to Heck coupling with methyl-2-iodobenzoate in presence of Lewis base, acetonitrile, and palladium acetate to yield ketoester (VI), which is converted to diol (VIII) as described herein above.

Unsaturated hydroxyalkylquinoline acids as leukotriene antagonists

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, (2008/06/13)

Compounds having the formula I: STR1 are leukotriene antagonists and inhibitors of leukotriene biosynthesis. These compounds are useful as anti-asthmatic, anti-allergic, anti-inflammatory, and cytoprotective agents. They are also useful in treating angina, cerebral spasm, glomerular nephritis, hepatitis, endotoxemia, uveitis, and allograft rejection.

Fluorinated hydroxyalkylquinoline acids as leukotriene antagonists

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, (2008/06/13)

Compounds having the formula I: STR1 are leukotriene antagonists and inhibitors of leukotriene biosynthesis. These compounds are useful as anti-asthmatic, anti-allergic, anti-inflammatory, and cytoprotective agents. They are also useful in treating angina, cerebral spasm, glomerular nephritis, hepatitis, endotoxemia, uveitis, and allograft rejection.

Diarylstrylquinoline diacids and pharmaceutical compositions thereof

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, (2008/06/13)

Compounds having the formula: STR1 are leukotriene antagonists and inhibitors of leukotriene biosynthesis. These compounds are useful as anti-asthmatic, anti-allergic, anti-inflammatory, and cytoprotective agents.

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