2H-Tetrazol-2-acetic acid

Base Information

• Chemical Name: 2H-Tetrazol-2-acetic acid
• CAS No.: 21743-64-6
• Molecular Formula: C3H4 N4 O2
• Molecular Weight: 128.09
• Hs Code.: 2933990090
• European Community (EC) Number: 244-562-7
• DSSTox Substance ID: DTXSID00176138
• Nikkaji Number: J225.430A
• Wikidata: Q83046469
• Mol file: 21743-64-6.mol

Synonyms:21743-64-6;2H-Tetrazol-2-acetic acid;2H-Tetrazole-2-aceticacid;2-(tetrazol-2-yl)acetic acid;2H-tetrazol-2-ylacetic acid;2h-tetrazole-2-acetic acid;2-(2H-1,2,3,4-tetrazol-2-yl)acetic acid;2-(2H-tetrazol-2-yl)acetic acid;2h-tetrazolylacetic acid;2-(2-Tetrazolyl)acetic Acid;2-Tetrazole acetic acid;SCHEMBL1237656;DTXSID00176138;WAA74364;EINECS 244-562-7;MFCD00461719;AKOS006274996;BS-36800;CS-0370291;FT-0769906;2-(2H-1,2,3,4-Tetraazol-2-yl)acetic acid;A18458;EN300-225445;Z1198153518

Chemical Property of 2H-Tetrazol-2-acetic acid

Chemical Property:

• Vapor Pressure: 1.73E-06mmHg at 25°C
• Boiling Point: 381.1°Cat760mmHg
• PKA: 2.28±0.10(Predicted)
• Flash Point: 184.3°C
• PSA: 80.90000
• Density: 1.78g/cm³
• LogP: -1.24230
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 128.03342538
• Heavy Atom Count: 9
• Complexity: 116

Purity/Quality:

98%min ^*data from raw suppliers

2H-Tetrazol-2-ylaceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NN(N=N1)CC(=O)O

Technology Process of 2H-Tetrazol-2-acetic acid

There total 3 articles about 2H-Tetrazol-2-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:

1H-tetrazole (288-94-8) + Benzyl bromoacetate (5437-45-6) → 2H-tetrazol-2-ylacetic acid (21743-64-6) + 1H-tetrazol-1-ylacetic acid (21732-17-2)

Guidance literature:

1H-tetrazole; Benzyl bromoacetate; With potassium carbonate; In N,N-dimethyl-formamide; at 25 - 30 ℃;

With palladium 10% on activated carbon; hydrogen; In tetrahydrofuran; under 2585.81 Torr; Overall yield = 60 %; Overall yield = 25 g;

Reference yield:

1H-tetrazole (288-94-8) + ethyl bromoacetate (105-36-2) → 2H-tetrazol-2-ylacetic acid (21743-64-6)

Guidance literature:

1H-tetrazole; ethyl bromoacetate;

Saponification;

DOI:10.1016/j.inoche.2010.05.003

Reference yield:

→ 2H-tetrazol-2-ylacetic acid (21743-64-6)

Guidance literature:

entsprech. Heteroverb., Halogenessigsaeureester u. dessen Hydrolyse;

DOI:10.1021/jm00273a033

upstream raw materials:

1H-tetrazole

ethyl bromoacetate

Benzyl bromoacetate

Downstream raw materials:

ethyl 2H-tetrazole-2-acetate

Refernces

• 1、 -. "7-OXO -6-(SULFOOXY)- 1,6-DIAZABICYCLO [3.2.1] OCTANE CONTAINING COMPOUNDS AND THEIR USE IN TREATMENT OF BACTERIAL INFECTIONS". Page/Page column 53. . Retrieved 2017/06/19.