Mephetyl tetrazole

Base Information

• Chemical Name: Mephetyl tetrazole
• CAS No.: 916923-10-9
• Molecular Formula: C₂₀H₂₂N₄O
• Molecular Weight: 334.421
• ChEMBL ID: CHEMBL1317593
• DSSTox Substance ID: DTXSID301017558
• Mol file: 916923-10-9.mol

Synonyms:Mephetyl tetrazole;916923-10-9;1-[2-(4-Methoxyphenyl)ethyl]-5-(1-p-tolylcyclopropyl)-1H-tetrazole;CHEMBL1317593;DTXSID301017558;HMS3261C14;Tox21_500416;MFCD11045297;CCG-221720;LP00416;SDCCGSBI-0633710.P001;NCGC00186004-01;NCGC00186004-03;NCGC00261101-01;1-[2-(4-methoxyphenyl)ethyl]-5-[1-(4-methylphenyl)cyclopropyl]tetrazole;1-[2-(4-methoxyphenyl)ethyl]-5-[1-(4-methylphenyl)cyclopropyl]-1H-tetrazole

Chemical Property of Mephetyl tetrazole

Chemical Property:

• Boiling Point: 558.4±39.0 °C(Predicted)
• PKA: 1.11±0.10(Predicted)
• Density: 1.21±0.1 g/cm3(Predicted)
• Storage Temp.: 2-8°C
• Solubility.: DMSO: >5mg/mL
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 334.17936134
• Heavy Atom Count: 25
• Complexity: 425

Purity/Quality:

98%Min ^*data from raw suppliers

Mephetyl tetrazole ≥98% (HPLC), oil ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2(CC2)C3=NN=NN3CCC4=CC=C(C=C4)OC

Technology Process of Mephetyl tetrazole

There total 1 articles about Mephetyl 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:

1-p-tolyl-cyclopropanecarboxylic acid [2-(4-methoxy-phenyl)-ethyl]-amide (916923-22-3) → 1-[2-(4-methoxy-phenyl)-ethyl]-5-(1-p-tolyl-cyclopropyl)-1H-tetrazole (916923-10-9)

Guidance literature:

1-p-tolyl-cyclopropanecarboxylic acid [2-(4-methoxy-phenyl)-ethyl]-amide; With phosphorus pentachloride; In dichloromethane; at -5 ℃; for 2h;

With trimethylsilylazide; In dichloromethane; at 20 ℃;

DOI:10.1016/j.bmcl.2006.09.021

upstream raw materials:

1-p-tolyl-cyclopropanecarboxylic acid [2-(4-methoxy-phenyl)-ethyl]-amide

Refernces