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

Base Information

• Chemical Name: 7-chloro-3-phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine
• CAS No.: 17466-00-1
• Molecular Formula: C10H6ClN5
• Molecular Weight: 231.644
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID90455464

Synonyms:7-chloro-3-phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine;17466-00-1;7-chloro-3-phenyltriazolo[4,5-d]pyrimidine;SCHEMBL4928544;DTXSID90455464;AKOS026677504;BS-42510;EN300-51264;F2199-0226;Z640616764

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

Chemical Property:

• Boiling Point: 415.0±48.0 °C(Predicted)
• PSA: 56.49000
• Density: 1.57±0.1 g/cm3(Predicted)
• LogP: 1.86390
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 231.0311729
• Heavy Atom Count: 16
• Complexity: 245

Purity/Quality:

NLT 98% ^*data from raw suppliers

7-Chloro-3-phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N2C3=C(C(=NC=N3)Cl)N=N2

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

There total 3 articles about 7-chloro-3-phenyl-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: 99.0%

6-chloro-N4-phenylpyrimidine-4,5-diamine (41259-65-8) → 7-chloro-3-phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine (17466-00-1)

Guidance literature:

With acetic acid; sodium nitrite; In water; at 0 - 20 ℃; for 2h;

Reference yield: 96.0%

→ 7-chloro-3-phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine (17466-00-1)

Guidance literature:

Reference yield:

aniline (62-53-3) → 7-chloro-3-phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine (17466-00-1)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogenchloride / water; ethanol / 16 h / 85 °C

2: acetic acid; sodium nitrite / water / 2 h / 0 - 20 °C

With hydrogenchloride; acetic acid; sodium nitrite; In ethanol; water;

upstream raw materials:

6-chloro-N₄-phenylpyrimidine-4,5-diamine

aniline

Downstream raw materials:

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

4-chloro-1H-pyrimido[4,5-b]indole

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

4-hydroxy-4-methyl-1-(3-phenyl-3H-1,2,3-triazolo<4,5-d>pyrimidin-7-yl)-2-pentanone

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