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4-Cyano-1H-pyrrole-2-carboxylic acid ethyl ester, a chemical compound with the molecular formula C9H8N2O2, is a yellow solid that serves as a versatile intermediate in the synthesis of pharmaceuticals and agrochemicals. Its synthesis involves the reaction of 4-cyano-1H-pyrrole-2-carboxylic acid with ethanol in the presence of a catalyst. 4-CYANO-1H-PYRROLE-2-CARBOXYLIC ACID ETHYL ESTER is recognized for its potential biological activity and therapeutic effects, making it a valuable asset in drug discovery and development.

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  • 944901-09-1 Structure
  • Basic information

    1. Product Name: 4-CYANO-1H-PYRROLE-2-CARBOXYLIC ACID ETHYL ESTER
    2. Synonyms: 4-CYANO-1H-PYRROLE-2-CARBOXYLIC ACID ETHYL ESTER;1H-Pyrrole-2-carboxylic acid, 4-cyano-, ethyl ester;ETHYL 4-CYANOPYRROLE-2-CARBOXYLATE
    3. CAS NO:944901-09-1
    4. Molecular Formula: C8H8N2O2
    5. Molecular Weight: 164.16
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 944901-09-1.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.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: 4-CYANO-1H-PYRROLE-2-CARBOXYLIC ACID ETHYL ESTER(CAS DataBase Reference)
    10. NIST Chemistry Reference: 4-CYANO-1H-PYRROLE-2-CARBOXYLIC ACID ETHYL ESTER(944901-09-1)
    11. EPA Substance Registry System: 4-CYANO-1H-PYRROLE-2-CARBOXYLIC ACID ETHYL ESTER(944901-09-1)
  • 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: 944901-09-1(Hazardous Substances Data)

944901-09-1 Usage

Uses

Used in Pharmaceutical Industry:
4-Cyano-1H-pyrrole-2-carboxylic acid ethyl ester is used as a key intermediate in the synthesis of various pharmaceuticals for its potential to contribute to the development of new drugs. Its presence in the synthesis process aids in the creation of compounds with therapeutic effects, enhancing drug discovery and innovation.
Used in Agrochemical Industry:
In the agrochemical sector, 4-Cyano-1H-pyrrole-2-carboxylic acid ethyl ester is utilized as an intermediate in the production of agrochemicals, contributing to the development of effective pesticides and other agricultural chemicals that are vital for crop protection and yield enhancement.
Used in Organic Synthesis:
As a versatile building block in organic synthesis, 4-Cyano-1H-pyrrole-2-carboxylic acid ethyl ester is employed in the creation of a wide range of organic compounds for various applications, including the development of new materials and the improvement of existing ones.
It is important to handle and store 4-Cyano-1H-pyrrole-2-carboxylic acid ethyl ester with care due to its potential health and environmental hazards, ensuring safe practices in laboratories and manufacturing facilities.

Check Digit Verification of cas no

The CAS Registry Mumber 944901-09-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 9,4,4,9,0 and 1 respectively; the second part has 2 digits, 0 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 944901-09:
(8*9)+(7*4)+(6*4)+(5*9)+(4*0)+(3*1)+(2*0)+(1*9)=181
181 % 10 = 1
So 944901-09-1 is a valid CAS Registry Number.

944901-09-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name ethyl 4-cyano-1H-pyrrole-2-carboxylate

1.2 Other means of identification

Product number -
Other names ETHYL 4-CYANOPYRROLE-2-CARBOXYLATE

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:944901-09-1 SDS

944901-09-1Relevant articles and documents

Synthesis of isoquinolinone-based tricycles as novel poly(ADP-ribose) polymerase-1 (PARP-1) inhibitors

Chen, Jianyang,Peng, Haixia,He, Jinxue,Huan, Xiajuan,Miao, Zehong,Yang, Chunhao

, p. 2669 - 2673 (2014/06/09)

The isoquinolinone-based tricyclic compounds were designed and synthesized. Preliminary biological study of these compounds provided potent compounds 17a, 33b, 33c, 33d, and 33g with low nanomolar IC50s against PARP-1 enzyme.

A general, practical palladium-catalyzed cyanation of (hetero)aryl chlorides and bromides

Senecal, Todd D.,Shu, Wei,Buchwald, Stephen L.

supporting information, p. 10035 - 10039 (2013/10/01)

Playing it safe: The nontoxic cyanide source K4[Fe(CN) 6]×3 H2O can be used for the cyanation of (hetero)aryl halides. The application of palladacycle catalysts prevents poisoning during catalyst formation, thereby allowing for low catalyst loadings, fast reaction times, and wide heterocyclic substrate scope.

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