7-(Methylthio)-3-(2-phenylethyl)-3H-1,2,3-triazolo[4,5-d]pyrimidine

Base Information

Chemical Name:7-(Methylthio)-3-(2-phenylethyl)-3H-1,2,3-triazolo[4,5-d]pyrimidine
CAS No.:258356-20-6
Molecular Formula:C₁₃H₁₃N₅S
Molecular Weight:271.346
Hs Code.:
DSSTox Substance ID:DTXSID901161571

Synonyms:DTXSID901161571;7-(Methylthio)-3-(2-phenylethyl)-3H-1,2,3-triazolo[4,5-d]pyrimidine;258356-20-6

Suppliers and Price of 7-(Methylthio)-3-(2-phenylethyl)-3H-1,2,3-triazolo[4,5-d]pyrimidine

Supply Marketing:

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

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Chemical Property of 7-(Methylthio)-3-(2-phenylethyl)-3H-1,2,3-triazolo[4,5-d]pyrimidine

Chemical Property:

XLogP3:2.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:271.08916661
Heavy Atom Count:19
Complexity:284

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CSC1=NC=NC2=C1N=NN2CCC3=CC=CC=C3

Technology Process of 7-(Methylthio)-3-(2-phenylethyl)-3H-1,2,3-triazolo[4,5-d]pyrimidine

There total 4 articles about 7-(Methylthio)-3-(2-phenylethyl)-3H-1,2,3-triazolo[4,5-d]pyrimidine 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: 95.0%

: 258356-18-2
3-phenethyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine-7-thiol

: 74-88-4
methyl iodide

: 258356-20-6
7-methylsulfanyl-3-phenethyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine

Guidance literature:: With sodium hydroxide; at 20 ℃; for 1h;
DOI:10.1002/jhet.5570360514

Reference yield:

: 114930-31-3
3-phenethyl-3,6-dihydro-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

: 258356-20-6
7-methylsulfanyl-3-phenethyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine

Guidance literature:: Multi-step reaction with 3 steps

1: 76 percent / SOCl₂ / CHCl₃; dimethylformamide / 2 h / Heating

2: 97 percent / thiourea / methanol / 0.33 h / Heating

3: 95 percent / 5 percent NaOH / 1 h / 20 °C

With sodium hydroxide; thionyl chloride; thiourea; In methanol; chloroform; N,N-dimethyl-formamide; 1: Chlorination / 2: Substitution / 3: Condensation;
DOI:10.1002/jhet.5570360514

Reference yield:

: 159979-98-3
5-Amino-1-phenethyl-1H-[1,2,3]triazole-4-carboxylic acid amide

: 258356-20-6
7-methylsulfanyl-3-phenethyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine

Guidance literature:: Multi-step reaction with 4 steps

1: 89 percent / 2 h / Heating

2: 76 percent / SOCl₂ / CHCl₃; dimethylformamide / 2 h / Heating

3: 97 percent / thiourea / methanol / 0.33 h / Heating

4: 95 percent / 5 percent NaOH / 1 h / 20 °C

With sodium hydroxide; thionyl chloride; thiourea; In methanol; chloroform; N,N-dimethyl-formamide; 1: Condensation / 2: Chlorination / 3: Substitution / 4: Condensation;
DOI:10.1002/jhet.5570360514