1040377-17-0

Basic information

• Product Name: 1H-Pyrazole-1-acetic acid, 4-broMo-α,α-diMethyl-, ethyl ester
• Synonyms: 1H-Pyrazole-1-acetic acid, 4-broMo-α,α-diMethyl-, ethyl ester;2-(4-Bromo-pyrazol-1-yl)-2-methyl-propionic acid ethyl ester;Ethyl 2-(4-bromo-1H-pyrazol-1-yl)-2-methylpropanoate
• CAS NO: 1040377-17-0
• Molecular Formula: C₉H₁₃BrN₂O₂
• Molecular Weight: 261.13
• Mol File: 1040377-17-0.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 310.1±22.0 °C(Predicted)
• Appearance: /
• Density: 1.42±0.1 g/cm3(Predicted)
• PKA: -0.35±0.10(Predicted)
• CAS DataBase Reference: 1H-Pyrazole-1-acetic acid, 4-broMo-α,α-diMethyl-, ethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-Pyrazole-1-acetic acid, 4-broMo-α,α-diMethyl-, ethyl ester(1040377-17-0)
• EPA Substance Registry System: 1H-Pyrazole-1-acetic acid, 4-broMo-α,α-diMethyl-, ethyl ester(1040377-17-0)

Safety Data

• Hazardous Substances Data: 1040377-17-0(Hazardous Substances Data)

Usage

Synonyms

4-Bromo-1,1-dimethyl-1H-pyrazole-1-acetic acid ethyl ester

Molecular Weight

214.11 g/mol

Structure

A five-membered aromatic heterocycle (pyrazole) with two nitrogen atoms, a bromine atom, two methyl groups, and an ethyl ester group attached.

Functional Groups

Ester, Aromatic, Halogen, and Alkyl groups

Usage

Building block in the synthesis of various drugs and biologically active compounds in the pharmaceutical industry.

Parent Compound

Pyrazole, a five-membered aromatic heterocycle with two nitrogen atoms in the ring.

Reactivity

Unique reactivity due to the presence of bromine and methyl groups on the pyrazole ring.

Potential Applications

Medicinal chemistry, agrochemicals, and materials science.

Precautions

Handle and use with caution due to potential hazards and effects on human health and the environment.

Upstream product

• 288-13-1 NH-pyrazole 
• 600-00-0 ethyl 2-bromoisobutyrate 

Downstream Products

• 1282514-64-0 ethyl 2-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)-1H-pyrazol-1-yl)-2-methylpropanoate 
• 1282513-03-4 2-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)-1H-pyrazol-1-yl)-2-methylpropanoic acid 
• 1282512-48-4 taselisib 
• 1201657-32-0 ethyl 2-methyl-2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)propanoate 

Relevant articles and documents

PROCESS FOR MAKING BENZOXAZEPIN COMPOUNDS

Processes are described for the preparation of PI3K inhibitor, GDC-0032, Formula (I), having the structure: Formula (I) (GDC-0032), and intermediates useful for the preparation of (I).