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Ethyl 5-Oxo-4,5-dihydro-1H-pyrazole-3-carboxylate, commonly known as Meldrum's acid ester, is a chemical compound with the molecular formula C7H9NO3. It is a derivative of Meldrum's acid and is recognized for its unique structure and reactivity. Ethyl 5-Oxo-4,5-dihydro-1H-pyrazole-3-carboxylate is a versatile reagent in organic synthesis, particularly for the preparation of various heterocyclic compounds. Its significance in the field of medicinal chemistry is underscored by its role as a precursor for the synthesis of biologically active compounds and potential drug candidates. Meldrum's acid ester is an important intermediate in the development of new molecules with therapeutic properties, making it valuable in the production of pharmaceuticals, agrochemicals, and other fine chemicals.

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  • 85230-37-1 Structure
  • Basic information

    1. Product Name: Ethyl 5-Oxo-4,5-dihydro-1H-pyrazole-3-carboxylate
    2. Synonyms: Ethyl 5-Oxo-4,5-dihydro-1H-pyrazole-3-carboxylate;Ethyl 5-hydroxy-1H-pyrazole-3-carboxylate;EOS-61141;1H-Pyrazole-3-carboxylic acid, 5-hydroxy-, ethyl ester
    3. CAS NO:85230-37-1
    4. Molecular Formula: C6H8N2O3
    5. Molecular Weight: 156.14
    6. EINECS: N/A
    7. Product Categories: Esters;Pyrazoles & Triazoles;Heterocycles
    8. Mol File: 85230-37-1.mol
  • Chemical Properties

    1. Melting Point: 137-138 °C
    2. Boiling Point: 400.1±25.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.418 g/cm3
    6. Refractive Index: N/A
    7. Storage Temp.: 2-8°C
    8. Solubility: N/A
    9. PKA: 7.96±0.23(Predicted)
    10. CAS DataBase Reference: Ethyl 5-Oxo-4,5-dihydro-1H-pyrazole-3-carboxylate(CAS DataBase Reference)
    11. NIST Chemistry Reference: Ethyl 5-Oxo-4,5-dihydro-1H-pyrazole-3-carboxylate(85230-37-1)
    12. EPA Substance Registry System: Ethyl 5-Oxo-4,5-dihydro-1H-pyrazole-3-carboxylate(85230-37-1)
  • 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: 85230-37-1(Hazardous Substances Data)

85230-37-1 Usage

Uses

Used in Pharmaceutical Industry:
Ethyl 5-Oxo-4,5-dihydro-1H-pyrazole-3-carboxylate is used as a key intermediate for the synthesis of pharmaceuticals due to its ability to facilitate the creation of heterocyclic compounds, which are often found in biologically active molecules. Its reactivity and structural properties make it a preferred choice in the development of new drugs with potential therapeutic applications.
Used in Agrochemical Industry:
In the agrochemical sector, Ethyl 5-Oxo-4,5-dihydro-1H-pyrazole-3-carboxylate serves as a crucial component in the synthesis of various agrochemicals. Its role in creating heterocyclic compounds contributes to the development of effective pesticides, herbicides, and other agricultural chemicals that are vital for crop protection and yield enhancement.
Used in Organic Synthesis:
Ethyl 5-Oxo-4,5-dihydro-1H-pyrazole-3-carboxylate is utilized as a versatile reagent in organic synthesis for the preparation of a wide range of heterocyclic compounds. Its unique structure allows for multiple reaction pathways, making it an indispensable tool in the synthesis of complex organic molecules for various applications.
Used in Medicinal Chemistry Research:
Ethyl 5-Oxo-4,5-dihydro-1H-pyrazole-3-carboxylate is employed as a precursor in medicinal chemistry research for the synthesis of biologically active compounds and drug candidates. Its potential to contribute to the development of new therapeutic agents makes it a significant component in the advancement of medical treatments and pharmaceutical innovations.

Check Digit Verification of cas no

The CAS Registry Mumber 85230-37-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 8,5,2,3 and 0 respectively; the second part has 2 digits, 3 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 85230-37:
(7*8)+(6*5)+(5*2)+(4*3)+(3*0)+(2*3)+(1*7)=121
121 % 10 = 1
So 85230-37-1 is a valid CAS Registry Number.

85230-37-1SDS

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 5-hydroxy-1H-pyrazole-3-carboxylate

1.2 Other means of identification

Product number -
Other names Ethyl 5-Oxo-4,5-dihydro-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:85230-37-1 SDS

85230-37-1Relevant articles and documents

6,7-DIHYDRO-5H-PYRAZOLO[5,1-B][1,3]OXAZINE-2-CARBOXAMIDE COMPOUNDS

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Page/Page column 54, (2017/09/09)

The present invention is directed to PDE4B inhibitors of Formula I: (I) or a pharmaceutically acceptable salt thereof, wherein the substituents R1, R2, R 3, and R 4are as defined herein. The invention is also di

THIENO[2,3-C]PYRANS AS CFTR MODULATORS

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Paragraph 00212, (2015/02/25)

The present invention discloses compounds according to Formula I: Wherein R is as defined herein. The present invention relates to compounds and their use in the treatment of cystic fibrosis, methods for their production, pharmaceutical compositions comprising the same, and methods of treatment cystic fibrosis by administering a compound of the invention.

NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS

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Paragraph 0708-0709, (2015/02/25)

The present invention discloses compounds according to Formula I: wherein R1 is as defined herein. The present invention relates to compounds and their use in the treatment of cystic fibrosis, methods for their production, pharmaceutical compositions comprising the same, and methods of treatment cystic fibrosis by administering a compound of the invention.

NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS

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Page/Page column 52; 53; 60, (2015/04/22)

The present invention provides compounds of Formula (I), pharmaceutical compositions thereof, and method of using the same in the treatment or prevention of diseases mediated by the activation of β3-adrenoceptor.

PYRAZOLO [1,5-A]PYRAZINE DERIVATIVE AS ANTAGONISTS OF V1B RECEPTORS

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Page/Page column 45, (2009/12/05)

The present invention relates to novel compounds of formula (I) or salts thereof: wherein R is -X-[CH2]n CR4R5 -Y; or a group G; G is one of the groups selected from the list consisting of G1, G2, G3, G4, G5, G6, G7, G8, G9, G10, G11 and G12, and the rest

Benzimidazole derivatives and their use as KDR kinase protein inhibitors

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Page 81, (2010/02/10)

The invention discloses and claims benzimidazole compounds of formula (I): wherein X is C—R2; Y is C—R2 or C—R3; W and Z are each C—R3; R1 is an optionally substituted aryl, heteroaryl or a saturated 5- or 6-membered monocyclic heterocyclic radical or a b

NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS

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Page 26; 37; 38, (2010/02/08)

This invention relates to novel pyrazole derivatives of formula (I) wherein R1 to R4 are as defined in the summary and pharmaceutically acceptable salts and solvates thereof, methods to inhibits or modulate Human Immunodeficiency Virus (HIV) reverse trans

1,1,1-Trichloro-4,4-diethoxy-3-buten-2-one and its Trichloroacetylacetate Derivatives: Synthesis and Applications in Regiospecific Preparation of Azoles

Martins, Marcos A. P.,Pereira, Claudio M. P.,Zimmermann, Nilo E. K.,Moura, Sidnei,Sinhorin, Adilson P.,Cunico, Wilson,Zanatta, Nilo,Bonacorso, Helio G.,Flores, Alex C. F.

, p. 2353 - 2357 (2007/10/03)

The synthesis of 1,1,1-trichloro-4,4-diethoxy-3-buten-2-one and three trichloroacetylacetate derivatives from the acylation reaction of respective trialkyl orthoacetates and orthopropionates with trichloroacetyl chloride in good yields, is reported. The t

Process for producing pyrazolecarboxamide derivative

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, (2008/06/13)

A process for producing a pyrazolecarboxamide derivative represented by formula (C) which comprises reacting a pyrazolecarboxylic ester compound represented by formula (A) with an amine compound represented by formula (B) in the presence of a Lewis acid: STR1 wherein R1 represents a hydrogen atom, a substituted or unsubstituted alkyl group, a substituted or unsubstituted aryl group, or a substituted or unsubstituted heterocyclic group; R2 represents a substituted or unsubstituted alkyl group; and R3 and R4 each represents a hydrogen atom, a substituted or unsubstituted alkyl group, a substituted or unsubstituted aryl group, or a substituted or unsubstituted heterocyclic group, provided that R3 and R4 may be bonded to each other to form a ring.

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