2-(5-phenyltetrazol-1-yl)acetic Acid

Base Information

• Chemical Name: 2-(5-phenyltetrazol-1-yl)acetic Acid
• CAS No.: 21743-58-8
• Molecular Formula: C9H8N4O2
• Molecular Weight: 204.188
• European Community (EC) Number: 858-888-8
• DSSTox Substance ID: DTXSID00350138
• Wikidata: Q82125922
• Mol file: 21743-58-8.mol

Synonyms:2-(5-phenyltetrazol-1-yl)acetic Acid;21743-58-8;1H-Tetrazole-1-acetic acid, 5-phenyl-;2-(5-phenyl-1H-1,2,3,4-tetrazol-1-yl)acetic acid;Oprea1_754970;SCHEMBL5966693;5-phenyltetrazole-1-acetic acid;5-Phenyl-1-tetrazoleacetic acid;DTXSID00350138;BYVHAWLFYKHSKH-UHFFFAOYSA-N;(5-phenyltetrazol-1-yl) acetic acid;AKOS000297171;CS-0258483;EN300-702735

Chemical Property of 2-(5-phenyltetrazol-1-yl)acetic Acid

Chemical Property:

• PSA: 80.90000
• LogP: 0.42470
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 204.06472551
• Heavy Atom Count: 15
• Complexity: 230

Purity/Quality:

99% ^*data from raw suppliers

1H-Tetrazole-1-aceticacid,5-phenyl- ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NN=NN2CC(=O)O

Technology Process of 2-(5-phenyltetrazol-1-yl)acetic Acid

There total 5 articles about 2-(5-phenyltetrazol-1-yl)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: 100.0%

→ (5-phenyltetrazol-1-yl)-acetic acid (21743-58-8)

Guidance literature:

Reference yield: 69.2%

methyl 2-(5-phenyl-1H-tetrazole-1-yl)acetate (131647-65-9) + 4N-hydrochloric acid → (5-phenyltetrazol-1-yl)-acetic acid (21743-58-8)

Guidance literature:

With acetic acid;

Reference yield:

3-oxo-3-phenylpropionic acid (614-20-0) → (1-phenyl-1H-tetrazol-5-yl)-acetic acid (19813-37-7) + (5-phenyltetrazol-1-yl)-acetic acid (21743-58-8)

Guidance literature:

With chloroform; tris-(2-chloro-ethyl)-amine; sulfuric acid;

upstream raw materials:

ethyl hippurate

3-oxo-3-phenylpropionic acid

hydrogenchloride

ethyl 5-phenyl-1H-tetrazolylacetate

Downstream raw materials:

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

(5-phenyltetrazol-1-yl)-acetic acid 2-hydroxyethyl ester

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