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1246213-24-0

Benzeneacetic acid, 4-[[(1,4-dihydro-4-oxo-3-quinolinyl)carbonyl]amino]-5-(1,1-dimethylethyl)-2-hydroxy-α,α-dimethylis a complex organic compound with a unique chemical structure. It is characterized by its benzeneacetic acid backbone, which is modified with various functional groups, including a quinolinyl carbonyl amino group, a dimethylethyl group, and a hydroxy group. Benzeneacetic acid, 4-[[(1,4-dihydro-4-oxo-3-quinolinyl)carbonyl]aMino]-5-(1,1-diMethylethyl)-2-hydroxy-α,α-diMethylis likely to have specific properties and applications due to its intricate molecular structure.

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  • 1246213-24-0 Structure

  • Basic information

    1. Product Name: Benzeneacetic acid, 4-[[(1,4-dihydro-4-oxo-3-quinolinyl)carbonyl]aMino]-5-(1,1-diMethylethyl)-2-hydroxy-α,α-diMethyl-
    2. Synonyms: Benzeneacetic acid, 4-[[(1,4-dihydro-4-oxo-3-quinolinyl)carbonyl]aMino]-5-(1,1-diMethylethyl)-2-hydroxy-α,α-diMethyl-;Benzeneacetic acid, 4-[[(1,4-dihydro-4-oxo-3-quinolinyl)carbonyl]aMino]-5-(1,1-diMethylethyl)-2-hydroxy-alpha,alpha-diMethyl-;2-(5-tert-butyl-2-hydroxy-4-(4-oxo-1,4-dihydroquinoline-3-carboxamido)phenyl)-2-methylpropanoic acid
    3. CAS NO:1246213-24-0
    4. Molecular Formula: C24H26N2O5
    5. Molecular Weight: 422.47364
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 1246213-24-0.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: 2-8°C
    8. Solubility: DMSO (Slightly), Methanol (Slightly)
    9. CAS DataBase Reference: Benzeneacetic acid, 4-[[(1,4-dihydro-4-oxo-3-quinolinyl)carbonyl]aMino]-5-(1,1-diMethylethyl)-2-hydroxy-α,α-diMethyl-(CAS DataBase Reference)
    10. NIST Chemistry Reference: Benzeneacetic acid, 4-[[(1,4-dihydro-4-oxo-3-quinolinyl)carbonyl]aMino]-5-(1,1-diMethylethyl)-2-hydroxy-α,α-diMethyl-(1246213-24-0)
    11. EPA Substance Registry System: Benzeneacetic acid, 4-[[(1,4-dihydro-4-oxo-3-quinolinyl)carbonyl]aMino]-5-(1,1-diMethylethyl)-2-hydroxy-α,α-diMethyl-(1246213-24-0)

  • 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: 1246213-24-0(Hazardous Substances Data)

1246213-24-0 Usage

Uses

1. Used in Pharmaceutical Industry:
Benzeneacetic acid, 4-[[(1,4-dihydro-4-oxo-3-quinolinyl)carbonyl]amino]-5-(1,1-dimethylethyl)-2-hydroxy-α,α-dimethylis used as an intermediate compound for the synthesis of various pharmaceuticals. Its unique structure may provide specific biological activities or serve as a building block for the development of new drugs.
2. Used in Chemical Research:
Benzeneacetic acid, 4-[[(1,4-dihydro-4-oxo-3-quinolinyl)carbonyl]aMino]-5-(1,1-diMethylethyl)-2-hydroxy-α,α-diMethylcan be utilized in chemical research for understanding the properties and reactivity of complex organic molecules. It may also be used as a reference material for the development of new synthetic methods or analytical techniques.
3. Used in Impurity Analysis:
As an impurity of Ivacaftor (I940600), a drug used in the treatment of cystic fibrosis, Benzeneacetic acid, 4-[[(1,4-dihydro-4-oxo-3-quinolinyl)carbonyl]amino]-5-(1,1-dimethylethyl)-2-hydroxy-α,α-dimethylmay be used for quality control and impurity profiling in the pharmaceutical industry. This helps ensure the safety and efficacy of the drug by monitoring and controlling the presence of impurities.

Check Digit Verification of cas no

The CAS Registry Mumber 1246213-24-0 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,2,4,6,2,1 and 3 respectively; the second part has 2 digits, 2 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 1246213-24:
(9*1)+(8*2)+(7*4)+(6*6)+(5*2)+(4*1)+(3*3)+(2*2)+(1*4)=120
120 % 10 = 0
So 1246213-24-0 is a valid CAS Registry Number.

1246213-24-0SDS

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 2-[5-tert-butyl-2-hydroxy-4-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl]-2-methylpropanoic acid

1.2 Other means of identification

Product number -
Other names -

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:1246213-24-0 SDS

1246213-24-0Downstream Products

1246213-24-0Relevant articles and documents

PROCESS FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR

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Page/Page column 75; 79, (2010/10/03)

The invention provides a process for the preparation of a compound of Formula 1; comprising coupling a carboxylic acid of Formula 2; with an aniline of Formula 3; in the presence of a coupling agent.

MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR

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Page/Page column 15; 45; 49, (2010/10/03)

This invention relates to a compound of Formula I or a pharmaceutically acceptable salt thereof, wherein R is COOH or CH2OH.

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