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

Base Information

Chemical Name:[5-(3,4-dimethoxyphenyl)-2H-tetrazol-2-yl]acetic acid
CAS No.:91759-61-4
Molecular Formula:C11H12 N4 O4
Molecular Weight:264.24
Hs Code.:2933990090
DSSTox Substance ID:DTXSID10357719
Wikidata:Q82137761
ChEMBL ID:CHEMBL288696
Mol file:91759-61-4.mol

Synonyms:91759-61-4;[5-(3,4-dimethoxyphenyl)-2H-tetrazol-2-yl]acetic acid;2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetic acid;2-[5-(3,4-dimethoxyphenyl)-2H-1,2,3,4-tetrazol-2-yl]acetic acid;2H-Tetrazole-2-aceticacid, 5-(3,4-dimethoxyphenyl)-;Oprea1_023108;Oprea1_088129;CHEMBL288696;SCHEMBL13917041;DTXSID10357719;MFCD02589541;AKOS000567842;CS-0234907;EN300-14964;AB00742984-01;Z111542072

Suppliers and Price of [5-(3,4-dimethoxyphenyl)-2H-tetrazol-2-yl]acetic acid

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
[5-(3,4-DIMETHOXYPHENYL)-2H-TETRAZOL-2-YL]ACETIC ACID 95.00%
5G
$ 1210.63

American Custom Chemicals Corporation
[5-(3,4-DIMETHOXYPHENYL)-2H-TETRAZOL-2-YL]ACETIC ACID 95.00%
2.5G
$ 1011.60

American Custom Chemicals Corporation
[5-(3,4-DIMETHOXYPHENYL)-2H-TETRAZOL-2-YL]ACETIC ACID 95.00%
1G
$ 736.12

AK Scientific
[5-(3,4-Dimethoxyphenyl)-2H-tetrazol-2-yl]aceticacid
1g
$ 255.00

Total 4 raw suppliers

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

Chemical Property:

Vapor Pressure:6.19E-11mmHg at 25°C
Melting Point:154-155 °C
Boiling Point:502.9°Cat760mmHg
PKA:2.92±0.10(Predicted)
Flash Point:258°C
PSA：99.36000
Density:1.44g/cm³
LogP:0.44190
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:264.08585488
Heavy Atom Count:19
Complexity:317

Purity/Quality:

99% ^*data from raw suppliers

[5-(3,4-DIMETHOXYPHENYL)-2H-TETRAZOL-2-YL]ACETIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=C(C=C(C=C1)C2=NN(N=N2)CC(=O)O)OC

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

There total 3 articles about [5-(3,4-dimethoxyphenyl)-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: 73.0%

: 91759-58-9
Ethyl 5-(3,4-dimethoxyphenyl)tetrazol-2-yl acetate

: 91759-61-4
[5-(3,4-Dimethoxy-phenyl)-tetrazol-2-yl]-acetic acid

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

Reference yield:

: 2024-83-1
veratronitrile

: 91759-61-4
[5-(3,4-Dimethoxy-phenyl)-tetrazol-2-yl]-acetic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 78 percent / NaN₃, NH₄Cl / dimethylformamide / 17 h / Heating

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

3: 73 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:

: 10493-27-3
5-(3,4-Dimethoxyphenyl)tetrazole

: 91759-61-4
[5-(3,4-Dimethoxy-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: 73 percent / aq. NaOH / 4 h / Heating

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