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4005-02-1

Ethyl 4-(2-methyl-4-oxoquinazolinin-3(4H)-yl)benzoate is a complex organic compound with the chemical formula C18H15NO4. It is a derivative of quinazolinone, a heterocyclic compound with potential applications in pharmaceuticals and agrochemicals. This specific compound features a benzoate group attached to a quinazolinone core, which may contribute to its biological activity. The molecule is characterized by its 2-methyl-4-oxoquinazolinin-3(4H)-yl moiety, which is fused to a benzene ring, and an ethyl ester group. Its structure and properties make it a candidate for further research in drug development, particularly in the area of anticancer agents, due to the known biological activities of quinazolinone derivatives.

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  • 4005-02-1 Structure

  • Basic information

    1. Product Name: ETHYL 4-(2-METHYL-4-OXOQUINAZOLIN-3(4H)-YL)BENZOATE
    2. Synonyms: ETHYL 4-(2-METHYL-4-OXOQUINAZOLIN-3(4H)-YL)BENZOATE
    3. CAS NO:4005-02-1
    4. Molecular Formula: C18H16N2O3
    5. Molecular Weight: 308.33
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 4005-02-1.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 488.4°Cat760mmHg
    3. Flash Point: 249.2°C
    4. Appearance: /
    5. Density: 1.22g/cm3
    6. Vapor Pressure: 1.1E-09mmHg at 25°C
    7. Refractive Index: 1.612
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: ETHYL 4-(2-METHYL-4-OXOQUINAZOLIN-3(4H)-YL)BENZOATE(CAS DataBase Reference)
    11. NIST Chemistry Reference: ETHYL 4-(2-METHYL-4-OXOQUINAZOLIN-3(4H)-YL)BENZOATE(4005-02-1)
    12. EPA Substance Registry System: ETHYL 4-(2-METHYL-4-OXOQUINAZOLIN-3(4H)-YL)BENZOATE(4005-02-1)

  • 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: 4005-02-1(Hazardous Substances Data)

4005-02-1 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 4005-02-1 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 4,0,0 and 5 respectively; the second part has 2 digits, 0 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 4005-02:
(6*4)+(5*0)+(4*0)+(3*5)+(2*0)+(1*2)=41
41 % 10 = 1
So 4005-02-1 is a valid CAS Registry Number.
InChI:InChI=1/C18H16N2O3/c1-3-23-18(22)13-8-10-14(11-9-13)20-12(2)19-16-7-5-4-6-15(16)17(20)21/h4-11H,3H2,1-2H3

4005-02-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name ethyl 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate

1.2 Other means of identification

Product number -
Other names 4-(2-methyl-4-oxo-4H-quinazolin-3-yl)-benzoic acid ethyl ester

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:4005-02-1 SDS

4005-02-1Relevant articles and documents

Preparation of 4(3H)-quinazolinones from aryldiazonium salt, nitriles and 2-aminobenzoate via a cascade annulation

Ramanathan, Mani,Hsu, Ming-Tsung,Liu, Shiuh-Tzung

, p. 791 - 796 (2019/01/08)

One-pot synthesis of 3-aryl-4(3H)-quinazolinones has been realized through a cascade annulation. Reaction of aryldiazonium salt with a nitrile provides in situ generation of a reactive nitrilium ion, which is attacked by the amino group of 2-aminobenzoate followed by cyclization to deliver the desired product. This strategy offers a convenient and easy access to a wide range of functionalized quinazolinone.

Synthesis and antimicrobial activity of some pyrazoline derivatives of 4(3H)-quinazolinones

Panda,Srinivas,Rao, M.E. Bhanoji,Panda

, p. 770 - 771 (2007/10/03)

The present communication describes the synthesis and antimicrobial activity of some new 6,8-disubstituted-2-(phenyl/methyl)-3-|4-(3-methyl-5-pyrazolinon-1-yl)carbonyl) phenyl/benzyl/methyl|-4(3H)-qainazolinones.

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