3-bromo-1-methyl-1,2,4-triazole

Base Information

• Chemical Name: 3-bromo-1-methyl-1,2,4-triazole
• CAS No.: 56616-91-2
• Molecular Formula: C3H4BrN3
• Molecular Weight: 161.989
• Hs Code.: 2933990090
• Mol file: 56616-91-2.mol

Synonyms:3-Bromo-1-methyl-1,2,4-triazole;

Chemical Property of 3-bromo-1-methyl-1,2,4-triazole

Chemical Property:

• Vapor Pressure: 0.0159mmHg at 25°C
• Refractive Index: 1.669
• Boiling Point: 255.9 °C at 760 mmHg
• PKA: 1.01±0.10(Predicted)
• Flash Point: 108.5 °C
• PSA: 30.71000
• Density: 1.93g/cm³
• LogP: 0.57760
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature

Purity/Quality:

99% ^*data from raw suppliers

3-Bromo-1-methyl-1H-1,2,4-triazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 3-Bromo-1-methyl-1H-1,2,4-triazole is a useful intermediate used in the preparation of substituted triazoles.

Technology Process of 3-bromo-1-methyl-1,2,4-triazole

There total 1 articles about 3-bromo-1-methyl-1,2,4-triazole 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:

→ 3-bromo-1-methyl-1H-1,2,4-triazole (56616-91-2)

Guidance literature:

16, CH3I, OH^-;

Reference yield: 88.0%

2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (1609393-90-9) + 3-bromo-1-methyl-1H-1,2,4-triazole (56616-91-2) → 2-methoxy-3-(1-methyl-1H-1,2,4-triazol-3-yl) aniline (1609394-10-6)

Guidance literature:

With potassium phosphate; methanesulfonic acid(2-dicyclohexylphosphino-2′,4′,6′-triisopropyl-1,1′-biphenyl)[2-(2′-amino-1,1′-biphenyl)]palladium(II); In 1,4-dioxane; water; at 90 ℃; for 4h; Inert atmosphere;

Reference yield: 9.2%

3-(4-fluoro-3-(trifluoromethyl)phenyl)-5-(2-(3-fluoropyrrolidin-1-yl)-2-oxoethyl)-1H-pyrrolo[3,2-c]pyridin-4(5H)-one + 3-bromo-1-methyl-1H-1,2,4-triazole (56616-91-2) → 3-(4-fluoro-3-(trifluoromethyl)phenyl)-5-(2-(3-fluoropyrrolidin-1-yl)-2-oxoethyl)-1-(1-methyl-1H-1,2,4-triazol-3-yl)-1H-pyrrolo[3,2-c]pyridin-4(5H)-one

Guidance literature:

With copper(l) iodide; caesium carbonate; In N,N-dimethyl-formamide; at 100 ℃; for 6h; Microwave irradiation;

Downstream raw materials:

1-(4-fluorophenyl)-5-(1-methyl-1H-1,2,4-triazol-3-yl)-3-(1-[¹¹C]methylpiperidin-4-yl)-1H-indole

2-methoxy-3-(1-methyl-1H-1,2,4-triazol-3-yl) aniline