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(3-Chloro-2-oxo-2H-pyrazin-1-yl)-acetic acid ethyl ester is a chemical compound characterized by the molecular formula C7H7ClN2O3. It is an ethyl ester derivative of (3-Chloro-2-oxo-2H-pyrazin-1-yl)-acetic acid, which belongs to the pyrazine family of compounds. This versatile chemical is widely utilized in the synthesis of pharmaceuticals and agrochemicals, serving as a fundamental building block for a variety of products. Its chemical structure and properties also lend it potential in the development of new drugs and crop protection agents, although its use requires careful handling due to its potentially hazardous nature.

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  • 435345-05-4 Structure
  • Basic information

    1. Product Name: (3-Chloro-2-oxo-2H-pyrazin-1-yl)-acetic acid ethyl ester
    2. Synonyms: (3-Chloro-2-oxo-2H-pyrazin-1-yl)-acetic acid ethyl ester;1(2H)-Pyrazineacetic acid, 3-chloro-2-oxo-, ethyl ester;Ethyl 2-(6-chloro-5-oxo-4,5-dihydropyrazin-2-yl)acetate;3-chloro-2-oxo-1(2H)-Pyrazineacetic acid Ethyl ester
    3. CAS NO:435345-05-4
    4. Molecular Formula: C8H9ClN2O3
    5. Molecular Weight: 216.62166
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 435345-05-4.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 313.245 °C at 760 mmHg
    3. Flash Point: 143.246 °C
    4. Appearance: /
    5. Density: 1.372 g/cm3
    6. Vapor Pressure: 0.001mmHg at 25°C
    7. Refractive Index: 1.564
    8. Storage Temp.: 2-8°C
    9. Solubility: N/A
    10. CAS DataBase Reference: (3-Chloro-2-oxo-2H-pyrazin-1-yl)-acetic acid ethyl ester(CAS DataBase Reference)
    11. NIST Chemistry Reference: (3-Chloro-2-oxo-2H-pyrazin-1-yl)-acetic acid ethyl ester(435345-05-4)
    12. EPA Substance Registry System: (3-Chloro-2-oxo-2H-pyrazin-1-yl)-acetic acid ethyl ester(435345-05-4)
  • 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: 435345-05-4(Hazardous Substances Data)

435345-05-4 Usage

Uses

Used in Organic Synthesis:
(3-Chloro-2-oxo-2H-pyrazin-1-yl)-acetic acid ethyl ester is used as a building block in organic synthesis for the creation of various pharmaceutical and agrochemical products. Its unique structure allows for the development of a range of compounds with different therapeutic and protective properties.
Used in Chemical Research:
In the field of chemical research, (3-Chloro-2-oxo-2H-pyrazin-1-yl)-acetic acid ethyl ester is employed as an intermediate in the production of other chemical compounds. It contributes to the advancement of chemical knowledge and the discovery of new chemical entities.
Used in Drug Development:
(3-Chloro-2-oxo-2H-pyrazin-1-yl)-acetic acid ethyl ester is utilized in the development of new drugs due to its versatile chemical structure. It can be modified and combined with other compounds to create novel pharmaceuticals with potential therapeutic applications.
Used in Crop Protection Product Development:
(3-Chloro-2-oxo-2H-pyrazin-1-yl)-acetic acid ethyl ester is also used in the development of crop protection products, where its chemical properties can be harnessed to create new agents that protect crops from pests and diseases, thereby enhancing agricultural productivity.
Used in Chemical Reactions as a Reagent:
(3-Chloro-2-oxo-2H-pyrazin-1-yl)-acetic acid ethyl ester serves as a reagent in various chemical reactions, facilitating the synthesis of target compounds and contributing to the broader scope of chemical research and development.

Check Digit Verification of cas no

The CAS Registry Mumber 435345-05-4 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 4,3,5,3,4 and 5 respectively; the second part has 2 digits, 0 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 435345-05:
(8*4)+(7*3)+(6*5)+(5*3)+(4*4)+(3*5)+(2*0)+(1*5)=134
134 % 10 = 4
So 435345-05-4 is a valid CAS Registry Number.
InChI:InChI=1/C8H9ClN2O3/c1-2-14-6(12)5-11-4-3-10-7(9)8(11)13/h3-4H,2,5H2,1H3

435345-05-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name ethyl 2-(5-chloro-6-oxo-1H-pyrazin-3-yl)acetate

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:435345-05-4 SDS

435345-05-4Relevant articles and documents

MASP-2 INHIBITORS AND METHODS OF USE

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Page/Page column 154-155, (2021/06/11)

The present disclosure provides, inter alia, compounds with MASP-2 inhibitory activity, compositions of such compounds, and methods of making and using such compounds.

Development of a scaleable synthesis of a 3-aminopyrazinone acetamide thrombin inhibitor

Ashwood, Michael S.,Alabaster, Ramon J.,Cottrell, Ian F.,Cowden, Cameron J.,Davies, Antony J.,Dolling, Ulf H.,Emerson, Khateeta M.,Gibb, Andrew D.,Hands, David,Wallace, Debra J.,Wilson, Robert D.

, p. 192 - 200 (2013/09/04)

A scaleable route to 2-{3-[(2,2-difluoro-2-(2-pyridyl)ethyl)-animo]-6- chloro-2-oxohydropyrazinyl}-N-(3-fluoro(2-pyridyl))-methyl]acetamide 1 is described in which various scaleup issues were addressed to provide a safe, efficient, and robust route for th

Synthesis of 3-Aminopyrazinone Mediated by 2-Pyridylthioimidate-ZnCl 2 Complexes. Development of an Efficient Route to a Thrombin Inhibitor

Chung, John Y. L.,Cvetovich, Raymond J.,Tsay, Fuh-Rong,Dormer, Peter G.,DiMichele, Lisa,Mathre, David J.,Chilenski, Jennifer R.,Mao, Bing,Wenslow, Robert

, p. 8838 - 8846 (2007/10/03)

A six-step preparation of thrombin inhibitor drug candidate 1 from pyrazinone 7 in 47% overall yield is described. The problem of low reactivity between weak amine nucleophile 4 and poor electrophile 3-bromopyrazinone 17 was overcome with the use of pyrid

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