3-Phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine-7-carbonitrile

Base Information

• Chemical Name: 3-Phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine-7-carbonitrile
• CAS No.: 74414-82-7
• Molecular Formula: C11H6N6
• Molecular Weight: 222.209
• DSSTox Substance ID: DTXSID20503523
• Nikkaji Number: J455.445K

Synonyms:74414-82-7;3-Phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine-7-carbonitrile;SCHEMBL23996447;DTXSID20503523

Chemical Property of 3-Phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine-7-carbonitrile

Chemical Property:

• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 222.06539422
• Heavy Atom Count: 17
• Complexity: 317

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N2C3=NC=NC(=C3N=N2)C#N

Technology Process of 3-Phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine-7-carbonitrile

There total 3 articles about 3-Phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine-7-carbonitrile 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: 68.0%

7-chloro-3-phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine (17466-00-1) + potassium cyanide (151-50-8) → 3-Phenyl-3H-1,2,3-triazolo<4,5-d>pyrimidine-7-carbonitrile (74414-82-7)

Guidance literature:

With sodium 4-methylbenzenesulfinate; In N,N-dimethyl-formamide; for 1h; Ambient temperature;

DOI:10.3987/COM-94-S(B)38

Reference yield: 30.0%

6-benzoyl-6,7-dihydro-3-phenyl-3H-1,2,3-triazolo<4,5-d>pyrimidine-7-carbonitrile (116944-02-6) → 3-phenyl-3H-[1,2,3]triazolo-[4,5-d]pyrimidine (73112-02-4) + 1-cyanobenzyl benzoate (4242-46-0) + 3-Phenyl-3H-1,2,3-triazolo<4,5-d>pyrimidine-7-carbonitrile (74414-82-7)

Guidance literature:

With sodium hydride; In tetrahydrofuran; for 0.116667h; Heating;

DOI:10.1248/cpb.40.513

Reference yield: 4.0%

6-benzoyl-6,7-dihydro-3-phenyl-3H-1,2,3-triazolo<4,5-d>pyrimidine-7-carbonitrile (116944-02-6) + 1-chloro-2,4-dinitro-benzene (97-00-7) → 3-phenyl-3H-[1,2,3]triazolo-[4,5-d]pyrimidine (73112-02-4) + 3-Phenyl-3H-1,2,3-triazolo<4,5-d>pyrimidine-7-carbonitrile (74414-82-7) + 7-(2,4-dinitrophenyl)-3-phenyl-3H-1,2,3-triazolo<4,5-d>pyrimidine (141210-12-0)

Guidance literature:

With sodium hydride; In tetrahydrofuran; for 0.116667h; Heating;

DOI:10.1248/cpb.40.513

upstream raw materials:

7-chloro-3-phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine

potassium cyanide

6-benzoyl-6,7-dihydro-3-phenyl-3H-1,2,3-triazolo<4,5-d>pyrimidine-7-carbonitrile

1-chloro-2,4-dinitro-benzene

Downstream raw materials:

7-piperidino-3-phenyl-3H-1,2,3-triazolo<4,5-d>pyrimidine

7-Morpholino-3-phenyl-3H-1,2,3-triazolo<4,5-d>pyrimidine

2-(3-Phenyl-3H-1,2,3-triazolo<4,5-d>pyrimidin-7-yl)cyclohexanone

7-(N,N-diethylamino)-3-phenyl-3H-1,2,3-triazolo<4,5-d>pyrimidine

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