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4-BROMO-1-METHYL-1 H-PYRAZOLE-3-CARBOXYLIC ACID M ETHYL ESTER is a pyrazole derivative with the molecular formula C7H8BrN3O2 and a molecular weight of 231.06 g/mol. It is a methyl ester derivative of 4-bromo-1-methyl-1H-pyrazole-3-carboxylic acid, commonly utilized in organic synthesis and medicinal chemistry. The presence of the bromo group and carboxylic acid functionality in its structure makes it a valuable intermediate for the preparation of diverse chemical compounds and pharmaceutical compounds.

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  • 211738-66-8 Structure
  • Basic information

    1. Product Name: 4-BROMO-1-METHYL-1 H-PYRAZOLE-3-CARBOXYLIC ACID M ETHYL ESTER
    2. Synonyms: RARECHEM AL BF 1005;ART-CHEM-BB B001423;4-BROMO-1-METHYL-1 H-PYRAZOLE-3-CARBOXYLIC ACID M ETHYL ESTER;AKOS B001423;methyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate;1H-pyrazole-3-carboxylic acid, 4-bromo-1-methyl-, methyl e;methyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate(SALTDATA: FREE);4-bromo-1-methyl-3-pyrazolecarboxylic acid methyl ester
    3. CAS NO:211738-66-8
    4. Molecular Formula: C6H7BrN2O2
    5. Molecular Weight: 219.04
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 211738-66-8.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 276.5 °C at 760 mmHg
    3. Flash Point: 121 °C
    4. Appearance: /
    5. Density: 1.67 g/cm3
    6. Vapor Pressure: 0.00477mmHg at 25°C
    7. Refractive Index: 1.589
    8. Storage Temp.: 2-8°C
    9. Solubility: N/A
    10. PKA: -2.22±0.10(Predicted)
    11. CAS DataBase Reference: 4-BROMO-1-METHYL-1 H-PYRAZOLE-3-CARBOXYLIC ACID M ETHYL ESTER(CAS DataBase Reference)
    12. NIST Chemistry Reference: 4-BROMO-1-METHYL-1 H-PYRAZOLE-3-CARBOXYLIC ACID M ETHYL ESTER(211738-66-8)
    13. EPA Substance Registry System: 4-BROMO-1-METHYL-1 H-PYRAZOLE-3-CARBOXYLIC ACID M ETHYL ESTER(211738-66-8)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 211738-66-8(Hazardous Substances Data)

211738-66-8 Usage

Uses

Used in Organic Synthesis:
4-BROMO-1-METHYL-1 H-PYRAZOLE-3-CARBOXYLIC ACID M ETHYL ESTER is used as a building block for the synthesis of various chemical compounds due to its versatile functional groups and reactivity.
Used in Medicinal Chemistry:
In the pharmaceutical industry, 4-BROMO-1-METHYL-1 H-PYRAZOLE-3-CARBOXYLIC ACID M ETHYL ESTER is used as a key intermediate for the development of biologically active molecules and pharmaceutical compounds, leveraging its unique structural features to enhance drug properties and therapeutic effects.

Check Digit Verification of cas no

The CAS Registry Mumber 211738-66-8 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 2,1,1,7,3 and 8 respectively; the second part has 2 digits, 6 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 211738-66:
(8*2)+(7*1)+(6*1)+(5*7)+(4*3)+(3*8)+(2*6)+(1*6)=118
118 % 10 = 8
So 211738-66-8 is a valid CAS Registry Number.
InChI:InChI=1/C6H7BrN2O2/c1-9-3-4(7)5(8-9)6(10)11-2/h3H,1-2H3

211738-66-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name Methyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate

1.2 Other means of identification

Product number -
Other names methyl 4-bromo-1-methylpyrazole-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:211738-66-8 SDS

211738-66-8Relevant articles and documents

SUBSTITUTED 2-AZABICYCLO[3.1.1]HEPTANE AND 2-AZABICYCLO[3.2.1]OCTANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS

-

, (2019/03/17)

There is provided a compound of formula (I), wherein L1 to L3, R1 to R4, X, A and B have meanings given in the description, and pharmaceutically acceptable salts, solvates and prodrugs thereof, which compounds are useful as antagonists of the orexin-1 and orexin-2 receptors or as selective antagonists of the orexin-1 receptor, and thus, in particular, in the treatment or prevention of inter alia substance dependence, addiction, anxiety disorders, panic disorders, binge eating, compulsive disorders, impulse control disorders, cognitive impairment and Alzheimer's disease.

2-AZABICYCLO[3.1.1] DERIVATIVES AS ANTAGONISTS OF THE OREXIN-1 AND OREXIN-2 RECEPTORS

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, (2019/05/15)

There is provided a compound of formula I, wherein L1, R1, R2, R5, X, A and B have meanings given in the description, and pharmaceutically acceptable salts, solvates and prodrugs thereof, which compounds are useful as antagonists of the orexin-1 and orexin-2 receptors or as selective antagonists of the orexin-1 receptor, and thus, in particular, in the treatment or prevention of inter alia substance dependence, addiction, anxiety disorders, panic disorders, binge eating, compulsive disorders, impulse control disorders, cognitive impairment and Alzheimer's disease.

CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF

-

Paragraph 1197, (2018/04/17)

Disclosed herein are small molecule calpain modulator compositions, pharmaceutical compositions, the use and preparation thereof.

HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS

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Page/Page column 96, (2017/09/05)

The present application relates to certain halo-substituted piperidine compounds, pharmaceutical compositions containing them, and methods of using them, including methods for treating substance addiction, panic disorder, anxiety, post-traumatic stress disorder, pain, depression, seasonal affective disorder, an eating disorder, or hypertension.

Fused 3-hydroxy-3-trifluoromethylpyrazoles inhibit mutant huntingtin toxicity

La Rosa, Salvatore,Benicchi, Tiziana,Bettinetti, Laura,Ceccarelli, Ilaria,Diodato, Enrica,Federico, Cesare,Fiengo, Pasquale,Franceschini, Davide,Gokce, Ozgun,Heitz, Freddy,Lazzeroni, Giulia,Luthi-Carter, Ruth,Magnoni, Letizia,Miragliotta, Vincenzo,Scali, Carla,Valacchi, Michela

supporting information, p. 979 - 984 (2013/10/22)

Here, we describe the selection and optimization of a chemical series active in both a full-length and a fragment-based Huntington's disease (HD) assay. Twenty-four thousand small molecules were screened in a phenotypic HD assay, identifying a series of compounds bearing a 3-hydroxy-3- trifluoromethylpyrazole moiety as able to revert the toxicity induced by full-length mutant Htt by up to 50%. A chemical exploration around the series led to the identification of compound 4f, which demonstrated to be active in a Htt171-82Q rat primary striatal neuron assay and a PC12-Exon-1 based assay. This compound was selected for testing in R6/2 mice, in which it was well-tolerated and showed a positive effect on body weight and a positive trend in preventing ventricular volume enlargment. These studies provide strong rationale for further testing the potential benefits of 3-hydroxy-3-trifluoromethylpyrazoles in treating HD.

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