5-tert-butyl-1H-tetrazole

Base Information

Chemical Name:5-tert-butyl-1H-tetrazole
CAS No.:92712-46-4
Molecular Formula:C5H10N4
Molecular Weight:126.161
Hs Code.:
European Community (EC) Number:834-735-0
DSSTox Substance ID:DTXSID00457499
Nikkaji Number:J1.131.587I
Wikidata:Q82280351

Synonyms:5-tert-butyl-1H-tetrazole;92712-46-4;5-tert-butyl-1H-1,2,3,4-tetrazole;5-tert-butyl-2H-tetrazole;5-tert-butyl-1H-tetraazole;SCHEMBL85038;DTXSID00457499;AKOS000262560;5-tert-butyl-2H-1,2,3,4-tetrazole;EN300-39385;AB00631334-02;Z398513324

Suppliers and Price of 5-tert-butyl-1H-tetrazole

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

TRC
5-tert-butyl-1H-1,2,3,4-tetrazole
25mg
$ 45.00

Total 3 raw suppliers

Chemical Property of 5-tert-butyl-1H-tetrazole

Chemical Property:

Boiling Point:232.9±23.0 °C(Predicted)
PSA：54.46000
Density:1.105±0.06 g/cm3(Predicted)
LogP:0.49720
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:126.090546336
Heavy Atom Count:9
Complexity:95.6

Purity/Quality:: 5-tert-butyl-1H-1,2,3,4-tetrazole ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)C1=NNN=N1

Technology Process of 5-tert-butyl-1H-tetrazole

There total 5 articles about 5-tert-butyl-1H-tetrazole 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: 97.0%

: 5-(tert-butyl)-1-trityl-1H-tetrazole

: 92712-46-4
5-(tert-butyl)-1H-tetrazole

Guidance literature:: With naphthalene; lithium; In tetrahydrofuran; at -78 ℃; for 4h; Inert atmosphere;
DOI:10.1055/s-0033-1338623

Reference yield: 90.0%

: 630-18-2
tert-butyl isocyanide

: 92712-46-4
5-(tert-butyl)-1H-tetrazole

Guidance literature:: With sodium azide; triethylamine hydrochloride; In toluene; at 110 ℃; for 17h;
DOI:10.1055/s-0033-1338623

Reference yield: 68.0%

: 637-91-2
2,2-dimethylpropionaldehyde oxime

: 92712-46-4
5-(tert-butyl)-1H-tetrazole

Guidance literature:: With diphenyl phosphoryl azide; 1,8-diazabicyclo[5.4.0]undec-7-ene; In 5,5-dimethyl-1,3-cyclohexadiene; for 16h; Reflux; Green chemistry;
DOI:10.1055/s-0036-1591851