4-BROMO-1-METHYL-1 H-PYRAZOLE-3-CARBOXYLIC ACID M ETHYL ESTER

Base Information

• Chemical Name: 4-BROMO-1-METHYL-1 H-PYRAZOLE-3-CARBOXYLIC ACID M ETHYL ESTER
• CAS No.: 211738-66-8
• Molecular Formula: C6H7BrN2O2
• Molecular Weight: 219.038
• Hs Code.: 2933199090
• Mol file: 211738-66-8.mol

Synonyms:4-Bromo-1-methyl-1H-pyrazole-3-carboxylic acid m ethyl ester;1H-Pyrazole-3-carboxylic acid, 4-bromo-1-methyl-, methyl ester;Pyrazole-3-carboxylic acid, 4-bromo-1-methyl-, methyl ester;AC1LCQW1;TC-062981;

Chemical Property of 4-BROMO-1-METHYL-1 H-PYRAZOLE-3-CARBOXYLIC ACID M ETHYL ESTER

Chemical Property:

• Vapor Pressure: 0.00477mmHg at 25°C
• Refractive Index: 1.589
• Boiling Point: 276.5 °C at 760 mmHg
• PKA: -2.22±0.10(Predicted)
• Flash Point: 121 °C
• PSA: 44.12000
• Density: 1.67 g/cm³
• LogP: 0.96920
• Storage Temp.: 2-8°C

Purity/Quality:

98%,99%, ^*data from raw suppliers

Methyl4-Bromo-1-methyl-1H-pyrazole-3-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-BROMO-1-METHYL-1 H-PYRAZOLE-3-CARBOXYLIC ACID M ETHYL ESTER

There total 6 articles about 4-BROMO-1-METHYL-1 H-PYRAZOLE-3-CARBOXYLIC ACID M ETHYL ESTER which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 51.8%

methyl 4-bromo-1H-pyrazole-3-carboxylate (81190-89-8,1639902-31-0,190263-20-8) + methyl iodide (74-88-4) → 4-bromo-2-methyl-2H-pyrazole-3-carboxylic acid methyl ester (514816-42-3) + 4-bromo-1-methyl-1H-pyrazole-3-carboxylic acid methyl ester (211738-66-8)

Guidance literature:

With caesium carbonate; In N,N-dimethyl-formamide; at 0 - 25 ℃; for 16h; Inert atmosphere;

Reference yield: 38.5%

4-amino-1-methyl-1H-pyrazole-3-carboxylic acid methyl ester (637336-53-9) → 4-bromo-1-methyl-1H-pyrazole-3-carboxylic acid methyl ester (211738-66-8)

Guidance literature:

4-amino-1-methyl-1H-pyrazole-3-carboxylic acid methyl ester; With tert.-butylnitrite; In tetrahydrofuran; at 20 ℃; for 0.5h;

With copper(ll) bromide; In tetrahydrofuran; acetonitrile; at 60 ℃; for 6.25h;

DOI:10.1021/ml400251g

Reference yield:

4-bromo-1H-pyrazole-3-carboxylic acid (13745-17-0) + methyl iodide (74-88-4) → 4-bromo-1-methyl-1H-pyrazole-3-carboxylic acid methyl ester (211738-66-8)

Guidance literature:

4-bromo-1H-pyrazole-3-carboxylic acid; With sodium hydride; In N,N-dimethyl-formamide; mineral oil; at 0 - 20 ℃; Inert atmosphere;

methyl iodide; In N,N-dimethyl-formamide; mineral oil; at 0 ℃; Inert atmosphere;

upstream raw materials:

methyl 4-nitro-1H-pyrazole-3-carboxylate

1-methyl-4-nitro-1H-pyrazole-3-carboxylic acid methyl ester

4-amino-1-methyl-1H-pyrazole-3-carboxylic acid methyl ester

4-bromo-1H-pyrazole-3-carboxylic acid

Downstream raw materials:

methyl 1-methyl-4-phenyl-1H-pyrazole-3-carboxylate

9-(4,6-dimethylpyrimidin-2-yl)-4-((1-methyl-4-phenyl-1H-pyrazol-3-yl)methyl)-1,4,9-triazaspiro[5.5]undecan-5-one

Refernces

• 1、 -. "2-AZABICYCLO[3.1.1] DERIVATIVES AS ANTAGONISTS OF THE OREXIN-1 AND OREXIN-2 RECEPTORS". . . Retrieved 2019/05/15.
• 2、 -. "HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS". Page/Page column 96. . Retrieved 2017/09/05.