2644-93-1

Basic information

• Product Name: 1,3,5-Trimethyl-1H-pyrazole-4-carboxaldehyde
• Synonyms: TIMTEC-BB SBB000012;ART-CHEM-BB B006543;AKOS PAO-0265;AKOS BBS-00004498;AKOS B006543;1,3,5-TRIMETHYL-1H-PYRAZOLE-4-CARBOXALDEHYDE;1,3,5-TRIMETHYL-1H-PYRAZOLE-4-CARBALDEHYDE;1,3,5-Trimethyl-1H-pyrazole-4-carbaldehyde, 90+%
• CAS NO: 2644-93-1
• Molecular Formula: C₇H₁₀N₂O
• Molecular Weight: 138.17
• Mol File: 2644-93-1.mol
• Article Data: 7

Chemical Properties

• Melting Point: 71 °C
• Boiling Point: 132°C/12mm
• Flash Point: 132°C/12mm
• Appearance: /
• Density: 1.09 g/cm³
• Vapor Pressure: 0.0376mmHg at 25°C
• Refractive Index: 1.536
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• PKA: 1.22±0.10(Predicted)
• Sensitive: Air Sensitive
• CAS DataBase Reference: 1,3,5-Trimethyl-1H-pyrazole-4-carboxaldehyde(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3,5-Trimethyl-1H-pyrazole-4-carboxaldehyde(2644-93-1)
• EPA Substance Registry System: 1,3,5-Trimethyl-1H-pyrazole-4-carboxaldehyde(2644-93-1)

Safety Data

• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36/37/39-24/25-22-37
• HazardClass: IRRITANT
• Hazardous Substances Data: 2644-93-1(Hazardous Substances Data)

Usage

Description

1,3,5-Trimethyl-1H-pyrazole-4-carboxaldehyde is an organic compound characterized by its light yellow powder form. It is a derivative of pyrazole, a heterocyclic compound with a five-membered ring containing two nitrogen atoms. The presence of three methyl groups and a carboxy aldehyde functional group at specific positions on the pyrazole ring endows this compound with unique chemical properties and reactivity.

Uses

Used in Organic Chemical Synthesis:
1,3,5-Trimethyl-1H-pyrazole-4-carboxaldehyde is used as an organic chemical synthesis intermediate for the production of various pharmaceuticals, agrochemicals, and other specialty chemicals. Its unique structure and reactivity make it a valuable building block in the synthesis of complex organic molecules, contributing to the development of new and innovative products across different industries.

InChI:InChI=1/C7H10N2O/c1-5-7(4-10)6(2)9(3)8-5/h4H,1-3H3

Upstream product

• 1072-91-9 1,3,5-trimethyl-1H-pyrazole 
• 68-12-2 N,N-dimethyl-formamide 
• 18712-39-5 4-hydroxymethyl-1,3,5-trimethyl-1H-pyrazole 
• 72374-18-6 ethyl 2-azido-3-(1,3,5-trimethylpyrazol-4-yl)propenoate 

Downstream Products

• 1125-29-7 1,3,5-trimethyl-1H-pyrazole-4-carboxylic acid 
• 707-85-7 1,5-dimethylpyrazole-3,4-dicarboxylic acid 
• 108161-13-3 4-cyano-1,3,5-trimethylpyrazole 
• 246022-20-8 C₇H₁₁N₃O 
• 1356914-66-3 C₁₁H₁₈N₂OS₂ 
• 874278-17-8 C₂₈H₃₆N₆ 
• 18712-39-5 4-hydroxymethyl-1,3,5-trimethyl-1H-pyrazole 
• 2792-06-5 2-phenyl-4-(1,3,5-trimethyl-1H-pyrazol-4-ylmethylene)-4H-oxazol-5-one 

Relevant articles and documents

PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF

Provided herein are compounds, compositions, and methods useful for inhibiting protein tyrosine phosphatase, e.g., protein tyrosine phosphatase non-receptor type 2 (PTPN2) and/or protein tyrosine phosphatase non-receptor type 1 (PTPN1), and for treating related diseases, disorders and conditions favorably responsive to PTPN 1 or PTPN2 inhibitor treatment, e.g., a cancer or a metabolic disease.

Synthesis of heterocyclic compounds from 4-formylpyrazoles

Formylation of pyrazole and 2,5-dimethylpyrazole gave a number of pyrazole-containing aldehydes, which can be used to obtain chromenes, tetrahydrochromenes, 1,4-dihydropyrano[2,3-c]pyrazoles, pyrano[3,2-c]chromenes, thiochromeno[4,3-b]pyrans, pyrano[3,2-c

Fragmentation of pyrazolecarbaldehyde thio- and dithioacetals under electron impact and chemical ionization

The mass spectra of 1-substituted 3,5-dimethyl-1H-pyrazole-4-carbaldehyde bis(2-hydroxyethyl) dithioacetals and thioacetals were studied for the first time. The main fragmentation pathways of their molecular ions generated under electron impact and chemic