1,2,4-Triazolo(3,4-a)phthalazine, 6-phenyl-

Base Information

• Chemical Name: 1,2,4-Triazolo(3,4-a)phthalazine, 6-phenyl-
• CAS No.: 21517-01-1
• Molecular Formula: C₁₅H₁₀N₄
• Molecular Weight: 246.271
• Hs Code.: 2933990090
• NSC Number: 116343
• DSSTox Substance ID: DTXSID50175853
• Nikkaji Number: J405.632I
• Wikidata: Q83046185
• ChEMBL ID: CHEMBL1701750
• Mol file: 21517-01-1.mol

Synonyms:1,2,4-Triazolo(3,4-a)phthalazine, 6-phenyl-;21517-01-1;6-phenyl-[1,2,4]triazolo[3,4-a]phthalazine;6-Phenyl-1,2,4-triazolo(3,4-a)phthalazine;6-phenyl-1,2,4-triazolo[3,4-a]phthalazine;NSC116343;BRN 0532944;MLS001018761;CHEMBL1701750;SCHEMBL10662541;DTXSID50175853;PXRWSPIIXAXJKZ-UHFFFAOYSA-N;HMS1769L02;HMS2689F09;AKOS001063238;NSC 116343;NSC-116343;NCGC00246013-01;SD-90118;SMR000363252;SR-01000026971;SR-01000026971-1;Z56773425

Chemical Property of 1,2,4-Triazolo(3,4-a)phthalazine, 6-phenyl-

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 43.08000
• Density: 1.33g/cm³
• LogP: 2.94450
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 246.090546336
• Heavy Atom Count: 19
• Complexity: 315

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NN3C=NN=C3C4=CC=CC=C42

Technology Process of 1,2,4-Triazolo(3,4-a)phthalazine, 6-phenyl-

There total 2 articles about 1,2,4-Triazolo(3,4-a)phthalazine, 6-phenyl- 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: 86.0%

1-hydrazinyl-4-phenylphthalazine (86427-78-3) + orthoformic acid triethyl ester (122-51-0) → 6-phenyl-1,2,4-triazolo<3,4-a>phthalazine (21517-01-1)

Guidance literature:

for 3h; Heating;

Reference yield: 70.0%

1-hydrazinyl-4-phenylphthalazine (86427-78-3) + oxalic acid (144-62-7,97993-78-7) → 6-phenyl-1,2,4-triazolo<3,4-a>phthalazine (21517-01-1)

Guidance literature:

at 170 ℃; for 0.25h;

Reference yield:

6-phenyl-1,2,4-triazolo<3,4-a>phthalazine (21517-01-1) → 3-(methylthio)-6-phenyl-1,2,4-triazolo<3,4-a>phthalazine (87540-84-9)

Guidance literature:

upstream raw materials:

1-hydrazinyl-4-phenylphthalazine

oxalic acid

orthoformic acid triethyl ester

Downstream raw materials:

3-(methylthio)-6-phenyl-1,2,4-triazolo<3,4-a>phthalazine

3-methylsulfinyl-6-phenyl-1,2,4-triazolo[3,4-a]phthalazine

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