3-[(2-Methylphenoxy)methyl]-N-phenyl-1,2,4-triazolo[3,4-b][1,3,4]thiadiazol-6-amine

Base Information

Chemical Name:3-[(2-Methylphenoxy)methyl]-N-phenyl-1,2,4-triazolo[3,4-b][1,3,4]thiadiazol-6-amine
CAS No.:117480-94-1
Molecular Formula:C₁₇H₁₅N₅OS
Molecular Weight:337.405
Hs Code.:
DSSTox Substance ID:DTXSID701130667

Synonyms:DTXSID701130667;3-[(2-Methylphenoxy)methyl]-N-phenyl-1,2,4-triazolo[3,4-b][1,3,4]thiadiazol-6-amine;117480-94-1

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 3-[(2-Methylphenoxy)methyl]-N-phenyl-1,2,4-triazolo[3,4-b][1,3,4]thiadiazol-6-amine

Chemical Property:

XLogP3:4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:337.09973129
Heavy Atom Count:24
Complexity:408

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC=CC=C1OCC2=NN=C3N2N=C(S3)NC4=CC=CC=C4

Technology Process of 3-[(2-Methylphenoxy)methyl]-N-phenyl-1,2,4-triazolo[3,4-b][1,3,4]thiadiazol-6-amine

There total 5 articles about 3-[(2-Methylphenoxy)methyl]-N-phenyl-1,2,4-triazolo[3,4-b][1,3,4]thiadiazol-6-amine 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: 62.0%

: 117480-90-7
1-phenyl-3-<3-(2-methylphenoxymethyl)-5-mercapto-1,2,4-triazol-4-yl>thiourea

: 117480-94-1
6-phenylamino-3-(2-methylphenoxymethyl)-1,2,4-triazolo<3,4-b><1,3,4>thiadiazole

Guidance literature:: In N,N-dimethyl-formamide; for 24h; Heating;

Reference yield: 62.0%

: 113520-64-2
4-amino-5-mercapto-3-(2-methylphenoxymethyl)-1,2,4-triazole

: 103-72-0
phenyl isothiocyanate

: 117480-94-1
6-phenylamino-3-(2-methylphenoxymethyl)-1,2,4-triazolo<3,4-b><1,3,4>thiadiazole

Guidance literature:: In N,N-dimethyl-formamide; for 24h; Heating;

Reference yield:

: 113520-64-2
4-amino-5-mercapto-3-(2-methylphenoxymethyl)-1,2,4-triazole

: 117480-94-1
6-phenylamino-3-(2-methylphenoxymethyl)-1,2,4-triazolo<3,4-b><1,3,4>thiadiazole

Guidance literature:: Multi-step reaction with 2 steps

1: dimethylformamide / 0.5 h / Ambient temperature

2: 60 percent / dimethylformamide / 8 h / Heating

In N,N-dimethyl-formamide;