2-[(5,7-dimethyl-6-oxo-4a,7a-diphenyl-4,4a,5,6,7,7a-hexahydro-1H-imidazo[4,5-e][1,2,4]triazin-3-yl)thio]acetic acid

Base Information

• Chemical Name: 2-[(5,7-dimethyl-6-oxo-4a,7a-diphenyl-4,4a,5,6,7,7a-hexahydro-1H-imidazo[4,5-e][1,2,4]triazin-3-yl)thio]acetic acid
• CAS No.: 309290-75-3
• Molecular Formula: C₂₀H₂₁N₅O₃S
• Molecular Weight: 411.484
• Mol file: 309290-75-3.mol

Synonyms:2-[(5,7-dimethyl-6-oxo-4a,7a-diphenyl-4,4a,5,6,7,7a-hexahydro-1H-imidazo[4,5-e][1,2,4]triazin-3-yl)thio]acetic acid

Chemical Property of 2-[(5,7-dimethyl-6-oxo-4a,7a-diphenyl-4,4a,5,6,7,7a-hexahydro-1H-imidazo[4,5-e][1,2,4]triazin-3-yl)thio]acetic acid

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 2-[(5,7-dimethyl-6-oxo-4a,7a-diphenyl-4,4a,5,6,7,7a-hexahydro-1H-imidazo[4,5-e][1,2,4]triazin-3-yl)thio]acetic acid

There total 2 articles about 2-[(5,7-dimethyl-6-oxo-4a,7a-diphenyl-4,4a,5,6,7,7a-hexahydro-1H-imidazo[4,5-e][1,2,4]triazin-3-yl)thio]acetic acid 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: 90.0%

chloroacetic acid (79-11-8) + 5,7-dimethyl-3-thioxo-4a,7a-diphenyloctahydro-6H-imidazo[4,5-e][1,2,4]triazin-6-one → 2-[(5,7-dimethyl-6-oxo-4a,7a-diphenyl-4,4a,5,6,7,7a-hexahydro-1H-imidazo[4,5-e][1,2,4]triazin-3-yl)thio]acetic acid (309290-75-3)

Guidance literature:

With sodium acetate; In ethanol; for 6h; regiospecific reaction; Reflux;

DOI:10.1016/j.mencom.2010.01.018

Reference yield:

bromoacetic acid (79-08-3) + 5,7-dimethyl-3-thioxo-4a,7a-diphenyloctahydro-6H-imidazo[4,5-e][1,2,4]triazin-6-one → 2-[(5,7-dimethyl-6-oxo-4a,7a-diphenyl-4,4a,5,6,7,7a-hexahydro-1H-imidazo[4,5-e][1,2,4]triazin-3-yl)thio]acetic acid (309290-75-3)

Guidance literature:

In ethanol;

DOI:10.1016/j.tet.2018.03.056

Reference yield: 83.0%

2-[(5,7-dimethyl-6-oxo-4a,7a-diphenyl-4,4a,5,6,7,7a-hexahydro-1H-imidazo[4,5-e][1,2,4]triazin-3-yl)thio]acetic acid (309290-75-3) → 1,3-dimethyl-3a,9a-diphenyl-3,3a,9,9a-tetrahydroimidazo[4,5-e]-1,3-thiazolo[3,2-b]-1,2,4-triazine-2,7(1H,6H)-dione

Guidance literature:

With acetic anhydride; for 0.5h; Reflux;

DOI:10.1016/j.mencom.2010.01.018

upstream raw materials:

chloroacetic acid

bromoacetic acid