[5-(3,4,5-trimethoxyphenyl)-2H-tetrazol-2-yl]acetic acid

Base Information

Chemical Name:[5-(3,4,5-trimethoxyphenyl)-2H-tetrazol-2-yl]acetic acid
CAS No.:91759-62-5
Molecular Formula:C12H14N4O5
Molecular Weight:294.267
Hs Code.:
DSSTox Substance ID:DTXSID401214036
ChEMBL ID:CHEMBL289578

Synonyms:[5-(3,4,5-trimethoxyphenyl)-2H-tetrazol-2-yl]acetic acid;CBKinase1_007030;CBKinase1_019430;CHEMBL289578;SCHEMBL17211730;DTXSID401214036;STK667270;AKOS001686575;SR-01000278560;SR-01000278560-1;BRD-K01542655-001-01-1;5-(3,4,5-Trimethoxyphenyl)-2H-tetrazole-2-acetic acid;91759-62-5

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of [5-(3,4,5-trimethoxyphenyl)-2H-tetrazol-2-yl]acetic acid

Chemical Property:

XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:294.09641956
Heavy Atom Count:21
Complexity:345

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC1=CC(=CC(=C1OC)OC)C2=NN(N=N2)CC(=O)O

Technology Process of [5-(3,4,5-trimethoxyphenyl)-2H-tetrazol-2-yl]acetic acid

There total 3 articles about [5-(3,4,5-trimethoxyphenyl)-2H-tetrazol-2-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: 76.0%

: 91759-59-0
[5-(3,4,5-Trimethoxy-phenyl)-tetrazol-2-yl]-acetic acid ethyl ester

: 91759-62-5
[5-(3,4,5-Trimethoxy-phenyl)-tetrazol-2-yl]-acetic acid

Guidance literature:: With sodium hydroxide; for 4h; Heating;
DOI:10.1021/jm00378a007

Reference yield:

: 1885-35-4
3,4,5-trimethoxybenzonitrile

: 91759-62-5
[5-(3,4,5-Trimethoxy-phenyl)-tetrazol-2-yl]-acetic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 89 percent / NaN₃, NH₄Cl / dimethylformamide / 17 h / Heating

2: 1.) EtONa / 1.) EtOH, reflux, 2.) EtOH, reflux, 16 h

3: 76 percent / aq. NaOH / 4 h / Heating

With sodium hydroxide; sodium azide; sodium ethanolate; ammonium chloride; In N,N-dimethyl-formamide;
DOI:10.1021/jm00378a007

Reference yield:

: 91759-55-6
5-(3',4',5'-trimethoxyphenyl)tetrazole

: 91759-62-5
[5-(3,4,5-Trimethoxy-phenyl)-tetrazol-2-yl]-acetic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) EtONa / 1.) EtOH, reflux, 2.) EtOH, reflux, 16 h

2: 76 percent / aq. NaOH / 4 h / Heating

With sodium hydroxide; sodium ethanolate;
DOI:10.1021/jm00378a007