5-Aminotetrazole

Base Information

• Chemical Name: 5-Aminotetrazole
• CAS No.: 4418-61-5
• Deprecated CAS: 167101-82-8,29212-86-0,29212-87-1,76720-24-6,174423-13-3,1071928-45-4,144914-14-7,174423-14-4,688301-53-3,144914-14-7,174423-13-3,174423-14-4,29212-86-0,29212-87-1,76720-24-6
• Molecular Formula: CH3N5
• Molecular Weight: 85.0683
• Hs Code.: 29339900
• European Community (EC) Number: 224-581-7,695-660-5
• NSC Number: 3004
• UNII: 28JR5LD42T
• DSSTox Substance ID: DTXSID7052103
• Nikkaji Number: J39.093C,J3.323.935A,J3.323.936J
• Wikipedia: 5-Aminotetrazole
• Wikidata: Q25323820
• ChEMBL ID: CHEMBL4469714
• Mol file: 4418-61-5.mol

Synonyms:5-amino tetrazole;5-amino-1H-tetrazole;5-aminotetrazole

Chemical Property of 5-Aminotetrazole

Chemical Property:

• Appearance/Colour: white crystals
• Vapor Pressure: 422mmHg at 25°C
• Melting Point: 201-205 °C(lit.)
• Refractive Index: 2.104
• Boiling Point: 360.4 °C at 760 mmHg
• PKA: pK1: 1.76;pK2: 6.07 (20°C)
• Flash Point: 199.1 °C
• PSA: 80.48000
• Density: 1.711 g/cm³
• LogP: -0.63690
• Water Solubility.: 12g/L(18 oC)
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 85.03884512
• Heavy Atom Count: 6
• Complexity: 43.2

Purity/Quality:

99% ^*data from raw suppliers

5-Aminotetrazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi, F
• Hazard Codes: Xn,F,Xi
• Statements: 22-36/37/38-20/21/22-11
• Safety Statements: 26-36/37-36-16-7/9

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1(=NNN=N1)N
• Uses: organic intermediate

Technology Process of 5-Aminotetrazole

There total 45 articles about 5-Aminotetrazole 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: 100.0%

N-Cyanoguanidine (127099-85-8,780722-26-1,461-58-5) → 5-aminotetrazole (4418-61-5)

Guidance literature:

With sodium azide; C₂₂H₂₆N₄O₆PdS*3H₂O; In water; at 60 ℃; for 0.166667h; Sonication;

DOI:10.1002/aoc.6320

Reference yield: 97.6%

aminoguanidine bicarbonate (2582-30-1) → 5-aminotetrazole (4418-61-5)

Guidance literature:

aminoguanidine bicarbonate; With hydrogenchloride; sodium nitrite; In water; at 10 ℃; for 0.5h;

With sodium carbonate; In water; at 85 ℃; for 3h;

Reference yield: 93.0%

CYANAMID (420-04-2) → 5-aminotetrazole (4418-61-5)

Guidance literature:

With sodium azide; triethylamine hydrochloride; In toluene; at 110 ℃;

DOI:10.1055/s-0033-1338623

upstream raw materials:

5-azido-1H-tetrazole

5-amino-1-benzyltetrazole

azidocarboxamidine

ethanol

Downstream raw materials:

7-methyl-5-phenyltetrazolo[1,5-a]pyrimidine

4-Chloro-6-(4-isopropyl-phenyl)-pyridine-2-carboxylic acid (1H-tetrazol-5-yl)-amide

N-(1H-tetrazol-5-yl)-6-(4-ethylphenyl)-4-methoxy-2-pyridinecarboxamide

4-Ethoxy-6-p-tolyl-pyridine-2-carboxylic acid (1H-tetrazol-5-yl)-amide

Refernces

• 1、 -. "Preparation method of 1-tetrazole acetate". Paragraph 0027; 0030. . Retrieved 2020/07/21.
• 2、 -. "A 5 - substituted four nitrogen azole compound of synthetic method (by machine translation)". Paragraph 0016; 0017; 0019. . Retrieved 2019/04/04.