1079-46-5

Basic information

• Product Name: METHYL 5-CHLORO-1H-INDAZOLE-3-CARBOXYLATE
• Synonyms: METHYL 5-CHLORO-1H-INDAZOLE-3-CARBOXYLATE;5-Chloro-1H-indazole-3-carboxylic acid methyl ester
• CAS NO: 1079-46-5
• Molecular Formula: C9H7ClN2O2
• Molecular Weight: 210.62
• Mol File: 1079-46-5.mol
• Article Data: 6

Chemical Properties

• Melting Point: 207 °C
• Boiling Point: 378.737 °C at 760 mmHg
• Flash Point: 182.854 °C
• Appearance: /
• Density: 1.453 g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.657
• Storage Temp.: 2-8°C
• PKA: 10.74±0.40(Predicted)
• CAS DataBase Reference: METHYL 5-CHLORO-1H-INDAZOLE-3-CARBOXYLATE(CAS DataBase Reference)
• NIST Chemistry Reference: METHYL 5-CHLORO-1H-INDAZOLE-3-CARBOXYLATE(1079-46-5)
• EPA Substance Registry System: METHYL 5-CHLORO-1H-INDAZOLE-3-CARBOXYLATE(1079-46-5)

Safety Data

• Hazardous Substances Data: 1079-46-5(Hazardous Substances Data)

Usage

General Description

Methyl 5-chloro-1H-indazole-3-carboxylate is a chemical compound often used in the production of pharmaceuticals and clinical research labs, particularly in the synthesis and development of various drugs. METHYL 5-CHLORO-1H-INDAZOLE-3-CARBOXYLATE falls under the category of indazoles, which are heterocyclic aromatics composed of a benzene ring fused to a pyrazole ring. Therefore, it possesses properties common to both aromatic and heterocyclic compounds. Though it does not naturally occur, it is synthesized in lab environments for its beneficial uses in the field of pharmaceuticals. Due to its use in drug synthesis, safety, handling, and proper storage are paramount.

InChI:InChI=1/C9H7ClN2O2/c1-14-9(13)8-6-4-5(10)2-3-7(6)11-12-8/h2-4H,1H3,(H,11,12)

Upstream product

• 67-56-1 methanol 
• 1077-95-8 5-chloro-1H-indazole-3-carboxylic acid 
• 17630-76-1 5-chloroindole 2,3-dione 

Downstream Products

• 102735-90-0 5-chloro-3-(hydroxymethyl)indazole 
• 102735-84-2 5-chloro-1H-indazole-3-carbaldehyde 

Relevant articles and documents

Quantum mechanical study and vibrational spectra of indazolium-3- carboxylate and its decarboxylation product, the N-heterocyclic carbene indazol-3-ylidene

Indazolium-3-carboxylate is a molecule that can be found as the nucleus of several pseudo-cross-conjugated mesomeric betaines, such as the alkaloid nigellicine. From a chemical point of view, one of the more interesting properties of this class of molecules is the possibility of forming an N-heterocyclic carbene by thermal decarboxylation. In this paper we have studied the carbene generation by decarboxylation of 1,2-dimethyl indazolium-3- carboxylate, using vibrational (infrared and Raman) spectroscopy and quantum chemistry calculations. Normal mode analysis allowed us to analyse the changes in the stretching force constants upon decarboxylation and to establish spectroscopic-structure relationships. We also investigate the effect of 5-halogen (fluoro, chloro) substitution on the carbene generation. Decarboxylation energy profiles of the three derivatives were calculated. Crossing of the energy paths when going from the transition state to the final product were obtained. The theoretical tendency found for the activation energies agrees with that observed for the decarboxylation temperatures and for the calculated NICS values of the benzene moieties. the Owner Societies.

THERAPEUTIC INHIBITORY COMPOUNDS

The invention provides compounds of Formula I and Formula II: A-B-C-D-E-F-G-J (I) C-D-E-F-G-J (II) wherein A, B, C, D, E, F, G, and J have any of the values defined in the specification, and salts thereof. The compounds are useful for inhibiting plasma kallikrein, and for treating a disease or condition in an animal where inhibition of plasma kallikrein is indicated.

CONDENSED PYRAZOLE DERIVATIVES AS PPAR AGONISTS II

The invention discloses compounds of formula (I) wherein: R is a carboxylic acid or a derivative thereof; R1 and R2 are independently H or alkyl, or together R1 and R2 form an alkylene group; L1 is a