CID 14711266

Base Information

• Chemical Name: CID 14711266
• CAS No.: 132372-76-0
• Molecular Formula: C₁₀H₁₂N₄O
• Molecular Weight: 204.231
• DSSTox Substance ID: DTXSID801281467
• Mol file: 132372-76-0.mol

Synonyms:132372-76-0;DTXSID801281467;5-[(2-Ethoxyphenyl)methyl]-2H-tetrazole

Chemical Property of CID 14711266

Chemical Property:

• Melting Point: 125 - 126 °C (ethanol)
• PSA: 63.69000
• LogP: 1.18920
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 204.10111102
• Heavy Atom Count: 15
• Complexity: 190

Purity/Quality:

1H-TETRAZOLE, 5-[(2-ETHOXYPHENYL)METHYL]- 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC1=CC=CC=C1CC2=NNN=N2

Technology Process of CID 14711266

There total 1 articles about CID 14711266 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: 30.7%

2-ethoxy benzylcyanide (74205-51-9) → 5-(2-Ethoxy-benzyl)-1H-tetrazole (132372-76-0)

Guidance literature:

With sodium azide; acetic acid; In butan-1-ol; Heating;

DOI:10.1007/BF00766552

Reference yield:

5-(2-Ethoxy-benzyl)-1H-tetrazole (132372-76-0) + bromoacetic acid methyl ester (96-32-2) → [5-(2-Ethoxy-benzyl)-tetrazol-2-yl]-acetic acid (132372-94-2)

Guidance literature:

With potassium hydroxide; sodium ethanolate; Yield given. Multistep reaction; 1.) EtOH, reflux, 16 h, 2.) MeOH, reflux, 3 h;

DOI:10.1007/BF00766552

Reference yield:

5-(2-Ethoxy-benzyl)-1H-tetrazole (132372-76-0) + bromoacetic acid methyl ester (96-32-2) → [5-(2-Ethoxy-benzyl)-tetrazol-1-yl]-acetic acid (132372-85-1)

Guidance literature:

With potassium hydroxide; sodium ethanolate; Yield given. Multistep reaction; 1.) EtOH, reflux, 16 h, 2.) MeOH, reflux, 3 h;

DOI:10.1007/BF00766552

upstream raw materials:

2-ethoxy benzylcyanide

Downstream raw materials:

[5-(2-Ethoxy-benzyl)-tetrazol-1-yl]-acetic acid

[5-(2-Ethoxy-benzyl)-tetrazol-2-yl]-acetic acid