Tetrazolo[5,1-a]phthalazine

Base Information

• Chemical Name: Tetrazolo[5,1-a]phthalazine
• CAS No.: 234-82-2
• Molecular Formula: C₈H₅N₅
• Molecular Weight: 171.161
• Hs Code.: 2933990090
• UNII: DEN3AS3YFZ
• DSSTox Substance ID: DTXSID30177956
• Nikkaji Number: J425.316G
• Wikidata: Q83048302
• Mol file: 234-82-2.mol

Synonyms:tetrazolo(5,1-a)phthalazine

Chemical Property of Tetrazolo[5,1-a]phthalazine

Chemical Property:

• Melting Point: 214-216°C
• Boiling Point: °Cat760mmHg
• PKA: -0.01±0.30(Predicted)
• Flash Point: °C
• PSA: 55.97000
• Density: 1.62g/cm³
• LogP: 0.67250
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 171.05449518
• Heavy Atom Count: 13
• Complexity: 197

Purity/Quality:

99% ^*data from raw suppliers

Tetrazolo[5,1-a]phthalazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=NN3C2=NN=N3
• Uses: Shows hypotensive action Shows hypotensive action.

Technology Process of Tetrazolo[5,1-a]phthalazine

There total 5 articles about Tetrazolo[5,1-a]phthalazine 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%

1(2H)-phthalazinethione (16015-46-6) → tetrazolo<5,1-a>phthalazine (234-82-2)

Guidance literature:

With trimethylsilylazide; tin(IV) chloride; In dichloromethane; for 22h; Ambient temperature;

Reference yield: 48.0%

o-carboxybenzaldehyde (119-67-5) → tetrazolo<5,1-a>phthalazine (234-82-2)

Guidance literature:

With trimethylsilylazide; hydrazine; trichlorophosphate; In acetonitrile; at 180 ℃; for 0.166667h; Microwave irradiation;

DOI:10.1002/ejoc.201600317

Reference yield:

→ tetrazolo<5,1-a>phthalazine (234-82-2)

Guidance literature:

With acetic acid; sodium nitrite;

DOI:10.1002/hlca.19510340122

upstream raw materials:

1-hydrazinophthalazine

1(2H)-phthalazinethione

o-carboxybenzaldehyde

Downstream raw materials:

Cyanophenyl carbene

C₈H₅N

C₈H₅N

Refernces

• 1、 Chandgude, Ajay L.,D?mling, Alexander. "Convergent Three-Component Tetrazole Synthesis". . p. 2383 - 2387. Retrieved 2016/06/01.
• 2、 Nakano,Tomitsuka,Juni. "Identification of the decomposition products of hydralazine hydrazones with three endogenous ketones and kinetic study of the formation of 3-methyl-8-triazolo[3,4-a]phthalazine from hydralazine and pyruvic acid". . p. 3407 - 3411. Retrieved 2007/10/02.