5-Amino-2-methyl-2H-tetrazole

Base Information

• Chemical Name: 5-Amino-2-methyl-2H-tetrazole
• CAS No.: 6154-04-7
• Molecular Formula: C2H5N5
• Molecular Weight: 99.0952
• Hs Code.: 2933990090
• European Community (EC) Number: 612-169-3
• NSC Number: 141015
• UNII: 69YEK2LM2M
• DSSTox Substance ID: DTXSID60210527
• Nikkaji Number: J589.361E,J589.374G
• Wikidata: Q72439720
• Mol file: 6154-04-7.mol

Synonyms:5-Amino-2-methyl-2H-tetrazole;6154-04-7;2-methyl-2H-tetrazol-5-amine;2-methyltetrazol-5-amine;5-Amino-2-methyltetrazole;2H-Tetrazol-5-amine, 2-methyl-;2-Methyl-5-aminotetrazole;2-Methyl-5-Amino-1h-Tetrazole;2-methyl-2h-1,2,3,4-tetrazol-5-amine;2H-Tetrazole, 5-amino-2-methyl-;69YEK2LM2M;2-Methyl-2H-tetrazol-5-ylamine;MFCD01819831;NSC-141015;2-Methyl-5-Amino-2H-Tetrazole;NSC141015;2-Methyl-5-tetrazolamine;UNII-69YEK2LM2M;2-Methyl-2H-tetraazol-5-amine;2-methyl-2H-tetrazole-5-amine;DTXSID60210527;2-Methyl-2H-tetraazol-5-amine #;AMY40621;AC1628;STK199321;AKOS000111116;AC-1545;CCG-321739;NSC 141015;AS-12403;SY013123;(2-METHYL-2H-TETRAZOL-5-YL)AMINE;3-Methyl-1H-tetrazol-3-ium-5-amine anion;BB 0246031;CS-0015398;EN300-112641;A833287;Z1198158669

Chemical Property of 5-Amino-2-methyl-2H-tetrazole

Chemical Property:

• Vapor Pressure: 0.00327mmHg at 25°C
• Melting Point: 104.5-105.5 °C
• Refractive Index: 1.794
• Boiling Point: 282.9 °C at 760 mmHg
• PKA: 2.43±0.10(Predicted)
• Flash Point: 124.9 °C
• PSA: 69.62000
• Density: 1.75 g/cm³
• LogP: -0.62650
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 99.05449518
• Heavy Atom Count: 7
• Complexity: 63.1

Purity/Quality:

99% ^*data from raw suppliers

5-Amino-2-methyl-2H-tetrazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1N=C(N=N1)N

Technology Process of 5-Amino-2-methyl-2H-tetrazole

There total 10 articles about 5-Amino-2-methyl-2H-tetrazole 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: 66.0%

5-aminotetrazole (4418-61-5) + carbonic acid dimethyl ester (616-38-6) → 2-methyl-2H-tetrazole-5-amine (6154-04-7) + 1-methyl-5-amino-1H-tetrazole (5422-44-6)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; In N,N-dimethyl-formamide; at 130 ℃; for 8h; Reagent/catalyst; Solvent; Temperature; Time; Green chemistry;

DOI:10.1002/jhet.2179

Reference yield: 51.0%

5-aminotetrazole (4418-61-5) + dimethyl sulfate (77-78-1) → 2-methyl-2H-tetrazole-5-amine (6154-04-7) + 1-methyl-5-amino-1H-tetrazole (5422-44-6)

Guidance literature:

5-aminotetrazole; With phenolphthalein; sodium hydroxide; In water;

dimethyl sulfate; With sodium hydroxide; In water; for 1h; Reflux;

DOI:10.1016/j.molstruc.2012.04.018

Reference yield: 51.0%

5-amino-1H-tetrazole monohydrate (15454-54-3) + dimethyl sulfate (77-78-1) → 2-methyl-2H-tetrazole-5-amine (6154-04-7) + 1-methyl-5-amino-1H-tetrazole (5422-44-6)

Guidance literature:

With phenolphthalein; sodium hydroxide; In water; for 1h; Reflux;

DOI:10.1016/j.molcata.2016.10.023

upstream raw materials:

diazomethane

5-aminotetrazole

dimethyl sulfate

methyl iodide

Downstream raw materials:

C₁₁H₇F₆N₅

C₁₅H₉ClF₄N₆

hydrogen cyanide

CYANAMID

Refernces

• 1、 Cristiano, M. Lurdes S.,Fernandes, André L.,Frija, Luís M. T.,Pombeiro, Armando J. L.. "Solvent-free oxidation of benzyl alcohols catalysed by a tetrazole-saccharinate Zn(II) complex under microwave radiation: The role of the ligand and the reaction mechanism". . . Retrieved 2020/07/27.
• 2、 Frija, Luís M. T.,Ntungwe, Epole,Sitarek, Przemys?aw,Andrade, Joana M.,Toma, Monika,?liwiński, Tomasz,Cabral, Lília,Cristiano, M. Lurdes S.,Rijo, Patrícia,Pombeiro, Armando J. L.. "In vitro assessment of antimicrobial, antioxidant, and cytotoxic properties of saccharin–tetrazolyl and –thiadiazolyl derivatives: The simple dependence of the ph value on antimicrobial activity". . . Retrieved 2019/11/20.