5-[4-cyano-2-(3-dimethylaminoprop-1-ynyl)phenyl]-7-methyl-3-oxo-8-(3-trifluoromethylphenyl)-2,3,5,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylic acid methyl ester formate salt

Base Information

Chemical Name:5-[4-cyano-2-(3-dimethylaminoprop-1-ynyl)phenyl]-7-methyl-3-oxo-8-(3-trifluoromethylphenyl)-2,3,5,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylic acid methyl ester formate salt
CAS No.:1613619-33-2
Molecular Formula:CH₂O₂*C₂₇H₂₃F₃N₆O₃
Molecular Weight:582.539
Hs Code.:

5-[4-cyano-2-(3-dimethylaminoprop-1-ynyl)phenyl]-7-methyl-3-oxo-8-(3-trifluoromethylphenyl)-2,3,5,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylic acid methyl ester formate salt

Synonyms:5-[4-cyano-2-(3-dimethylaminoprop-1-ynyl)phenyl]-7-methyl-3-oxo-8-(3-trifluoromethylphenyl)-2,3,5,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylic acid methyl ester formate salt

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Chemical Property of 5-[4-cyano-2-(3-dimethylaminoprop-1-ynyl)phenyl]-7-methyl-3-oxo-8-(3-trifluoromethylphenyl)-2,3,5,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylic acid methyl ester formate salt

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Technology Process of 5-[4-cyano-2-(3-dimethylaminoprop-1-ynyl)phenyl]-7-methyl-3-oxo-8-(3-trifluoromethylphenyl)-2,3,5,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylic acid methyl ester formate salt

There total 7 articles about 5-[4-cyano-2-(3-dimethylaminoprop-1-ynyl)phenyl]-7-methyl-3-oxo-8-(3-trifluoromethylphenyl)-2,3,5,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylic acid methyl ester formate salt 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:

: 7223-38-3
N,N-Dimethylpropargylamin

: 64-18-6
formic acid

: 1426800-29-4
5-(2-bromo-4-cyanophenyl)-7-methyl-3-oxo-8-[3-(trifluoromethyl)phenyl]-2,3,5,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylic acid methyl ester

: 1613619-33-2
5-[4-cyano-2-(3-dimethylaminoprop-1-ynyl)phenyl]-7-methyl-3-oxo-8-(3-trifluoromethylphenyl)-2,3,5,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylic acid methyl ester formate salt

Guidance literature:: N,N-Dimethylpropargylamin; 5-(2-bromo-4-cyanophenyl)-7-methyl-3-oxo-8-[3-(trifluoromethyl)phenyl]-2,3,5,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylic acid methyl ester; With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; In N,N-dimethyl-formamide; at 125 ℃; for 0.833333h; Inert atmosphere; Microwave irradiation;

formic acid; In water; acetonitrile;

Reference yield:

: 1736-70-5
3-trifluoromethylphenylthiourea

: 1613619-33-2
5-[4-cyano-2-(3-dimethylaminoprop-1-ynyl)phenyl]-7-methyl-3-oxo-8-(3-trifluoromethylphenyl)-2,3,5,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylic acid methyl ester formate salt

Guidance literature:: Multi-step reaction with 3 steps

1.1: Tris(trimethylsilyl) phosphate / tetrahydrofuran / 17 h / 75 °C / Inert atmosphere

2.1: 2,6-dimethylpyridine / dichloromethane / 0.5 h / 0 - 20 °C / Inert atmosphere

2.2: 2.33 h / 10 - 20 °C / Inert atmosphere; Cooling with ice

3.1: triethylamine; bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide / N,N-dimethyl-formamide / 0.83 h / 125 °C / Inert atmosphere; Microwave irradiation

With 2,6-dimethylpyridine; bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; Tris(trimethylsilyl) phosphate; triethylamine; In tetrahydrofuran; dichloromethane; N,N-dimethyl-formamide;

Reference yield:

: 105-45-3
acetoacetic acid methyl ester

: 1613619-33-2
5-[4-cyano-2-(3-dimethylaminoprop-1-ynyl)phenyl]-7-methyl-3-oxo-8-(3-trifluoromethylphenyl)-2,3,5,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylic acid methyl ester formate salt

Guidance literature:: Multi-step reaction with 3 steps

1.1: Tris(trimethylsilyl) phosphate / tetrahydrofuran / 17 h / 75 °C / Inert atmosphere

2.1: 2,6-dimethylpyridine / dichloromethane / 0.5 h / 0 - 20 °C / Inert atmosphere

2.2: 2.33 h / 10 - 20 °C / Inert atmosphere; Cooling with ice

3.1: triethylamine; bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide / N,N-dimethyl-formamide / 0.83 h / 125 °C / Inert atmosphere; Microwave irradiation

With 2,6-dimethylpyridine; bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; Tris(trimethylsilyl) phosphate; triethylamine; In tetrahydrofuran; dichloromethane; N,N-dimethyl-formamide;