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1H-Pyrazole-3-carboxylic acid, 4-formyl-, ethyl ester (9CI) is a chemical compound belonging to the pyrazole family, characterized by the molecular formula C7H8N2O3. It is a pale yellow liquid with a fruity odor, known for its role as a building block in organic synthesis and a reagent in chemical reactions. Its unique properties and structure contribute to its utility in various applications within the realms of chemistry and biochemistry. However, due to its potential toxicity and irritant nature, careful handling is required to prevent ingestion, inhalation, or skin and eye irritation.

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  • 179692-09-2 Structure
  • Basic information

    1. Product Name: 1H-Pyrazole-3-carboxylicacid,4-formyl-,ethylester(9CI)
    2. Synonyms: 1H-Pyrazole-3-carboxylicacid,4-formyl-,ethylester(9CI);ethyl 4-formyl-1H-pyrazole-3-carboxylate;Albb-007090;ethyl 4-formyl-1H-pyrazole-3-carboxylate(SALTDATA: FREE);1H-Pyrazole-3-carboxylicacid, 4-forMyl-, ethyl ester;2H-Pyrazole-3-carboxylic acid, 4-formyl-, ethyl ester;4-Formyl-1H-pyrazole-3-carboxylic acid ethyl ester;4-formyl-2H-pyrazole-3-carboxylic acid ethyl ester
    3. CAS NO:179692-09-2
    4. Molecular Formula: C7H8N2O3
    5. Molecular Weight: 168.15
    6. EINECS: N/A
    7. Product Categories: CARBOXYLICESTER;GLYCINESCAFFOLD;Heterocycles
    8. Mol File: 179692-09-2.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 382.9°C at 760 mmHg
    3. Flash Point: 185.4°C
    4. Appearance: /
    5. Density: 1.323g/cm3
    6. Vapor Pressure: 4.55E-06mmHg at 25°C
    7. Refractive Index: 1.574
    8. Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
    9. Solubility: N/A
    10. CAS DataBase Reference: 1H-Pyrazole-3-carboxylicacid,4-formyl-,ethylester(9CI)(CAS DataBase Reference)
    11. NIST Chemistry Reference: 1H-Pyrazole-3-carboxylicacid,4-formyl-,ethylester(9CI)(179692-09-2)
    12. EPA Substance Registry System: 1H-Pyrazole-3-carboxylicacid,4-formyl-,ethylester(9CI)(179692-09-2)
  • 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: 179692-09-2(Hazardous Substances Data)

179692-09-2 Usage

Uses

Used in Pharmaceutical Synthesis:
1H-Pyrazole-3-carboxylic acid, 4-formyl-, ethyl ester (9CI) is used as a key intermediate in the synthesis of pharmaceuticals for its ability to contribute to the development of novel drug molecules. Its reactivity and structural features facilitate the creation of diverse therapeutic agents.
Used in Agrochemical Production:
In the agrochemical industry, 1H-Pyrazole-3-carboxylic acid, 4-formyl-, ethyl ester (9CI) serves as a precursor in the production of various agrochemicals, including pesticides and herbicides. Its incorporation aids in enhancing the effectiveness of these products in agricultural applications.
Used in Organic Synthesis:
As a building block in organic synthesis, 1H-Pyrazole-3-carboxylic acid, 4-formyl-, ethyl ester (9CI) is utilized for the construction of complex organic molecules. Its versatility in forming different chemical bonds makes it valuable in the synthesis of a wide range of organic compounds.
Used in Chemical Research:
In the field of chemical research, 1H-Pyrazole-3-carboxylic acid, 4-formyl-, ethyl ester (9CI) is employed as a reagent to study various chemical reactions and mechanisms. Its unique properties allow researchers to explore new pathways and develop innovative approaches in chemical science.

Check Digit Verification of cas no

The CAS Registry Mumber 179692-09-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,7,9,6,9 and 2 respectively; the second part has 2 digits, 0 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 179692-09:
(8*1)+(7*7)+(6*9)+(5*6)+(4*9)+(3*2)+(2*0)+(1*9)=192
192 % 10 = 2
So 179692-09-2 is a valid CAS Registry Number.
InChI:InChI=1/C7H8N2O3/c1-2-12-7(11)6-5(4-10)3-8-9-6/h3-4H,2H2,1H3,(H,8,9)

179692-09-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name Ethyl 4-formyl-1H-pyrazole-5-carboxylate

1.2 Other means of identification

Product number -
Other names ethyl 4-formyl-1H-pyrazole-3-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:179692-09-2 SDS

179692-09-2Relevant articles and documents

A new synthethic approach to indazole synthesis

Baraldi, Pier Giovanni,Cacciari, Barbara,Spalluto, Giampiero,Romagnoli, Romeo,Braccioli, Giovanni,Zaid, Abdel Naser,De Pineda Las Infantas, Maria J.

, p. 1140 - 1142 (1997)

Stobbe condensation of 3-alkyl- or aryl-4-formylpyrazoles 3a-f with diethyl succinate in the presence of potassium f-butoxide, followed by intramolecular ring closure (Ac2O-NaOAc), afforded the corresponding indazole derivatives 5a-f in 65-85% overall yield. These compounds are good starting materials for transformation to biologically active molecules, such as new pyrazole analogs of the left-hand segment of the potent natural antineoplastic agent CC-1065.

HETEROCYCLIC SUBSTITUTED TRIFLUOROMETHYL PYRIMIDINONES AND THEIR USE

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, (2016/10/04)

The present application relates to novel heterocyclically substituted 6-(trifluoromethyl)pyrimidin-4(3H)-one derivatives, to processes for their preparation, to their use alone or in combinations for the treatment and/or prevention of diseases, and to their use for preparing medicaments for the treatment and/or prevention of diseases, in particular for treatment and/or prevention of cardiovascular, renal, inflammatory and fibrotic diseases.

HETEROCYCLICALLY SUBSTITUTED TRIFLUOROMETHYLPYRIMIDINONES AND THEIR USE

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, (2017/02/24)

The present application relates to novel heterocyclically substituted 6-(trifluoromethyl)pyrimidin-4(3H)-one derivatives, to processes for their preparation, to their use alone or in combinations for the treatment and/or prevention of diseases, and to their use for preparing medicaments for the treatment and/or prevention of diseases, in particular for treatment and/or prevention of cardiovascular, renal, inflammatory and fibrotic diseases.

Benzhydrol-pyrazole derivatives having kinase inhibitory activity and uses thereof

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Page/Page column 47, (2016/08/17)

The present invention features benzhydrol-pyrazole derivatives and related compounds having kinase inhibitory activity. The compounds of the invention, alone or in combination with other pharmaceutically active agents, can be used for treating or preventi

Dihydropyrrolopyrazol-6-one MCHR1 antagonists for the treatment of obesity: Insights on in vivo efficacy from a novel FLIPR assay setup

Devasthale, Pratik,Wang, Wei,Hernandez, Andres S.,Moore, Fang,Renduchintala, Kishore,Sridhar, Radhakrishnan,Pelleymounter, Mary Ann,Longhi, Daniel,Huang, Ning,Flynn, Neil,Azzara, Anthony V.,Rohrbach, Kenneth,Devenny, James,Rooney, Suzanne,Thomas, Michael,Glick, Susan,Godonis, Helen,Harvey, Susan,Cullen, Mary Jane,Zhang, Hongwei,Caporuscio, Christian,Stetsko, Paul,Grubb, Mary,Huang, Christine,Zhang, Lisa,Freeden, Chris,Li, Yi-Xin,Murphy, Brian J.,Robl, Jeffrey A.,Washburn, William N.

, p. 2793 - 2799 (2015/06/08)

Our investigation of the structure-activity and structure-liability relationships for dihydropyrrolopyrazol-6-one MCHR1 antagonists revealed that off-rate characteristics, inferred from potencies in a FLIPR assay following a 2 h incubation, can impact in

BENZHYDROL-PYRAZOLE DERIVATIVES HAVING KINASE INHIBITORY ACTIVITY AND USES THEREOF

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Page/Page column 49; 50, (2013/07/25)

The present invention features benzhydrol-pyrazole derivatives and related compounds having kinase inhibitory activity. The compounds of the invention, alone or in combination with other pharmaceutically active agents, can be used for treating or preventi

SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS

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, (2011/06/10)

An ORL-1 receptor antagonist of the formula: its uses, and methods for its preparation are described.

AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS

-

Page/Page column 132, (2010/05/13)

The present application provides compounds, including all stereoisomers, solvates, prodrugs and pharmaceutically acceptable forms thereof according to Formula (I) including all pharmaceutically acceptable salts and stereoisomers thereof: wherein A is a mo

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