Guanazole

Base Information

• Chemical Name: Guanazole
• CAS No.: 1455-77-2
• Deprecated CAS: 503-88-8
• Molecular Formula: C2H5N5
• Molecular Weight: 99.0952
• Hs Code.: 29339990
• European Community (EC) Number: 215-937-2
• NSC Number: 1895
• UNII: I01TWM5267
• DSSTox Substance ID: DTXSID0025367
• Nikkaji Number: J13.125C
• Wikidata: Q27145298
• NCI Thesaurus Code: C531
• ChEMBL ID: CHEMBL56973
• Mol file: 1455-77-2.mol

Synonyms:Guanazole

Chemical Property of Guanazole

Chemical Property:

• Appearance/Colour: colourless crystals or faintly yellow powder
• Vapor Pressure: 3.85E-09mmHg at 25°C
• Melting Point: 202-205 °C(lit.)
• Refractive Index: 1.809
• Boiling Point: 473.7 °C at 760 mmHg
• PKA: 12.10±0.40(Predicted)
• Flash Point: 271.6 °C
• PSA: 93.61000
• Density: 1.686 g/cm³
• LogP: 0.13150
• Storage Temp.: Store below +30°C.
• Solubility.: H2O: clear to hazy
• Water Solubility.: Soluble in water.
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 99.05449518
• Heavy Atom Count: 7
• Complexity: 63.1

Purity/Quality:

98%min ^*data from raw suppliers

3,5-Diamino-1,2,4-triazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi, C
• Hazard Codes: Xn,Xi,C
• Statements: 22-34
• Safety Statements: 36/37-45-36/37/39-27-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(=NC(=NN1)N)N
• Uses: Inhibitor of DNA synthesis. 3,5-Diamino-1,2,4-triazole is used as an inhibitor of DNA synthesis. It also serves as an antitumor agents in the treatment of epigenetically-based diseases. It acts as a corrosion inhibitor for copper.

Technology Process of Guanazole

There total 18 articles about Guanazole 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: 88.0%

CYANAMID (420-04-2) → guanazole (1455-77-2)

Guidance literature:

CYANAMID; With copper hydroxide; ammonium chloride; at 110 ℃; for 3h; Autoclave; Industrial scale;

With sodium sulfide; In water; for 0.5h; Reagent/catalyst; Temperature; Reflux; Industrial scale;

Reference yield: 73.0%

methyl (3,5-diamino-1,2,4-triazol-1-yl)dithiocarbonate (131023-09-1) + methylhydrazine (60-34-4) → guanazole (1455-77-2) + N-methyl-hydrazinecarbodithioic acid methyl ester (20184-94-5) + 3,5-Diamino-[1,2,4]triazole-1-carbothioic acid N-methyl-hydrazide

Guidance literature:

In methanol; for 1h; Yields of byproduct given; Ambient temperature;

Reference yield: 72.0%

N-Cyanoguanidine (127099-85-8,780722-26-1,461-58-5) → guanazole (1455-77-2)

Guidance literature:

With hydrazine hydrate; hydrazinium sulfate; In water; at 50 - 125 ℃; for 16h;

upstream raw materials:

N-Cyanoguanidine

methyl (3,5-diamino-1,2,4-triazol-1-yl)dithiocarbonate

methylhydrazine

ethanol

Downstream raw materials:

5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylamine

2-amino-5-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

N,N'-dibenzylidene-1H-[1,2,4]triazole-3,5-diamine

N-benzylidene-1H-[1,2,4]triazole-3,5-diamine

Refernces

• 1、 Haiges,Bélanger-Chabot,Kaplan,Christe. "Preparation and characterization of 3,5-dinitro-1H-1,2,4-triazole". . p. 7586 - 7594. Retrieved 2015.
• 2、 Mattia Bizzarri, Bruno,Botta, Lorenzo,Pérez-Valverde, Maritza Iveth,Saladino, Raffaele,Di Mauro, Ernesto,García-Ruiz, Juan Manuel. "Silica Metal Oxide Vesicles Catalyze Comprehensive Prebiotic Chemistry". . p. 8126 - 8132. Retrieved 2018/05/29.