1-methyl-5-(4-nitrophenyl)-1H-Tetrazole

Base Information

• Chemical Name: 1-methyl-5-(4-nitrophenyl)-1H-Tetrazole
• CAS No.: 20743-51-5
• Molecular Formula: C8H7N5O2
• Molecular Weight: 205.176
• Hs Code.: 2933990090
• Mol file: 20743-51-5.mol

Synonyms:1-Methyl-5-(4-nitrophenyl)-1H-tetrazole;

Chemical Property of 1-methyl-5-(4-nitrophenyl)-1H-Tetrazole

Chemical Property:

• Melting Point: 123-126 °C
• Boiling Point: 410.01 °C at 760 mmHg
• PKA: 0.61±0.10(Predicted)
• Flash Point: 201.767 °C
• PSA: 89.42000
• Density: 1.533 g/cm³
• LogP: 1.30850

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 1-methyl-5-(4-nitrophenyl)-1H-Tetrazole

There total 7 articles about 1-methyl-5-(4-nitrophenyl)-1H-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: 88.0%

N-methyl-4-nitrobenzamide (2585-23-1) → 1-methyl-5-(4-nitrophenyl)-1H-tetrazole (20743-51-5)

Guidance literature:

With sodium azide; trichlorophosphate; In acetonitrile; Reflux;

DOI:10.1134/S1070428020050127

Reference yield: 49.0%

5-(4-nitrophenyl)-1H-1,2,3,4-tetrazole (16687-60-8) + methyl iodide (74-88-4) → 1-methyl-5-(4-nitrophenyl)-1H-tetrazole (20743-51-5) + 4,1,20.2-methyl-5-(4-nitrophenyl)-2H-tetrazole (43131-48-2)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; at 5 ℃; for 1.5h;

Reference yield:

iminoyl chloride + N-methyl-4-nitrobenzamide (2585-23-1) → 1-methyl-5-(4-nitrophenyl)-1H-tetrazole (20743-51-5)

Guidance literature:

With sodium hydroxide; sodium azide; phosphorus pentachloride; In ethyl acetate; N,N-dimethyl-formamide;

upstream raw materials:

N-methyl-4-nitrobenzamide

5-(4-nitrophenyl)-1H-1,2,3,4-tetrazole

dimethyl sulfate

methyl iodide

Downstream raw materials:

4-(1-methyl-1H-tetrazol-5-yl)aniline

[4-(1-methyl-1H-tetrazol-5-yl)-phenyl]-carbamic acid phenyl ester

C₉H₁₀N₅O₂⁽¹⁺⁾*CH₃O₄S^(1-)

Refernces

• 1、 Ishihara, Kotaro,Shioiri, Takayuki,Matsugi, Masato. "An Expeditious Approach to Tetrazoles from Amides Utilizing Phosphorazidates". supporting information. p. 6244 - 6247. Retrieved 2020/07/24.
• 2、 De Lucca, George V.,Ui, Tae Kim,Vargo, Brian J.,Duncia, John V.,Santella III, Joseph B.,Gardner, Daniel S.,Zheng, Changsheng,Liauw, Ann,Wang, Zhang,Emmett, George,Wacker, Dean A.,Welch, Patricia K.,Covington, Maryanne,Stowell, Nicole C.,Wadman, Eric A.,Das, Anuk M.,Davies, Paul,Yeleswaram, Swamy,Graden, Danielle M.,Solomon, Kimberly A.,Newton, Robert C.,Trainor, George L.,Decicco, Carl P.,Ko, Soo S.. "Discovery of CC chemokine receptor-3 (CCR3) antagonists with picomolar potency". . p. 2194 - 2211. Retrieved 2007/10/03.