alpha,alpha-Dimethyl-5-phenyl-1H-tetrazole-1-acetic acid

Base Information

• Chemical Name: alpha,alpha-Dimethyl-5-phenyl-1H-tetrazole-1-acetic acid
• CAS No.: 109734-84-1
• Molecular Formula: C₁₁H₁₂N₄O₂
• Molecular Weight: 232.242
• DSSTox Substance ID: DTXSID401239945
• Mol file: 109734-84-1.mol

Synonyms:109734-84-1;SCHEMBL8947286;DTXSID401239945;AKOS015383875

Chemical Property of alpha,alpha-Dimethyl-5-phenyl-1H-tetrazole-1-acetic acid

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 232.09602564
• Heavy Atom Count: 17
• Complexity: 289

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C(=O)O)N1C(=NN=N1)C2=CC=CC=C2

Technology Process of alpha,alpha-Dimethyl-5-phenyl-1H-tetrazole-1-acetic acid

There total 2 articles about alpha,alpha-Dimethyl-5-phenyl-1H-tetrazole-1-acetic acid 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: 66.9%

→ α-(5-phenyl-tetrazol-1-yl)-isobutyric acid (109734-84-1)

Guidance literature:

Reference yield:

α-(5-phenyl-tetrazol-1-yl)-isobutyric acid ethyl ester (107417-32-3) → α-(5-phenyl-tetrazol-1-yl)-isobutyric acid (109734-84-1)

Guidance literature:

With hydrogenchloride; acetic acid;

DOI:10.1021/jo01109a013

Reference yield:

α-(5-phenyl-tetrazol-1-yl)-isobutyric acid (109734-84-1) → α-(5-phenyl-tetrazol-1-yl)-isobutyric acid-(2-diethylamino-ethyl ester); hydrochloride (109848-33-1)

Guidance literature:

With phosphorus pentachloride; benzene; dann Behandeln mit 2-Diaethylamino-aethanol;

DOI:10.1021/jo01113a013

upstream raw materials:

α-(5-phenyl-tetrazol-1-yl)-isobutyric acid ethyl ester

Downstream raw materials:

α-(5-phenyl-tetrazol-1-yl)-isobutyric acid-(2-diethylamino-ethyl ester); hydrochloride