2-[1-(2,4,6-Trimethylphenyl)tetrazol-5-yl]sulfanylacetic acid

Base Information

Chemical Name:2-[1-(2,4,6-Trimethylphenyl)tetrazol-5-yl]sulfanylacetic acid
CAS No.:436095-23-7
Molecular Formula:C₁₂H₁₄N₄O₂S
Molecular Weight:278.335
Hs Code.:
DSSTox Substance ID:DTXSID001174979

Synonyms:436095-23-7;SCHEMBL6282045;DTXSID001174979;2-[[1-(2,4,6-Trimethylphenyl)-1H-tetrazol-5-yl]thio]acetic acid

Suppliers and Price of 2-[1-(2,4,6-Trimethylphenyl)tetrazol-5-yl]sulfanylacetic acid

Supply Marketing:

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

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Chemical Property of 2-[1-(2,4,6-Trimethylphenyl)tetrazol-5-yl]sulfanylacetic acid

Chemical Property:

XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:278.08374688
Heavy Atom Count:19
Complexity:319

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC(=C(C(=C1)C)N2C(=NN=N2)SCC(=O)O)C

Technology Process of 2-[1-(2,4,6-Trimethylphenyl)tetrazol-5-yl]sulfanylacetic acid

There total 2 articles about 2-[1-(2,4,6-Trimethylphenyl)tetrazol-5-yl]sulfanylacetic 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:

: 52127-86-3
1-(2,4,6-trimethylphenyl)tetrazole-5-thiol

: 79-11-8
chloroacetic acid

: 436095-23-7
[(1-mesityl-1H-tetrazol-5-yl)thio]acetic acid

Guidance literature:: With sodium hydroxide; Heating;
DOI:10.1016/j.bmcl.2006.02.024

Reference yield:

: 6095-82-5
2,4,6-trimethylphenyl isothiocyanate

: 436095-23-7
[(1-mesityl-1H-tetrazol-5-yl)thio]acetic acid

Guidance literature:: Multi-step reaction with 2 steps

1: aq. NaN₃ / Heating

2: aq. NaOH / Heating

With sodium hydroxide; sodium azide;
DOI:10.1016/j.bmcl.2006.02.024