4-(1-Phenyltetrazol-5-yl)sulfonylbutanenitrile

Base Information

Chemical Name:4-(1-Phenyltetrazol-5-yl)sulfonylbutanenitrile
CAS No.:309241-44-9
Molecular Formula:C11H11N5O2S
Molecular Weight:277.307
Hs Code.:
DSSTox Substance ID:DTXSID50349633
Wikidata:Q82125041
ChEMBL ID:CHEMBL1882672

Synonyms:CMLDBU00003526;309241-44-9;4-(1-phenyltetrazol-5-yl)sulfonylbutanenitrile;SCHEMBL5356090;CHEMBL1882672;CMLDBU00000136;DTXSID50349633;CCG-102030;NCGC00181581-01;NCGC00181581-02;SR-05000001030;SR-05000001030-1

Suppliers and Price of 4-(1-Phenyltetrazol-5-yl)sulfonylbutanenitrile

Supply Marketing:

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

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Chemical Property of 4-(1-Phenyltetrazol-5-yl)sulfonylbutanenitrile

Chemical Property:

XLogP3:0.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:277.06334578
Heavy Atom Count:19
Complexity:432

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)N2C(=NN=N2)S(=O)(=O)CCCC#N

Technology Process of 4-(1-Phenyltetrazol-5-yl)sulfonylbutanenitrile

There total 2 articles about 4-(1-Phenyltetrazol-5-yl)sulfonylbutanenitrile 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: 76.5%

: 381673-09-2
4-(1-phenyl-1H-tetrazole-5-ylthio)butanenitrile

: 309241-44-9
4-[(1-phenyl-1H-tetrazol-5-yl)sulfonyl]butanenitrile

Guidance literature:: With hexaammonium heptamolybdate tetrahydrate; dihydrogen peroxide; In ethanol; water; at 0 - 20 ℃; for 19.5h;

Reference yield:

: 86-93-1
1-Phenyl-1H-tetrazole-5-thiol

: 309241-44-9
4-[(1-phenyl-1H-tetrazol-5-yl)sulfonyl]butanenitrile

Guidance literature:: Multi-step reaction with 2 steps

1: K₂CO₃ / dioxane / 18 h / Heating

2: 60 percent / MCPBA / 3 h / 20 °C

With potassium carbonate; 3-chloro-benzenecarboperoxoic acid; In 1,4-dioxane; 1: Alkylation / 2: Oxidation;
DOI:10.1016/S0040-4039(00)01242-9

Reference yield: 50.0%

: 309241-44-9
4-[(1-phenyl-1H-tetrazol-5-yl)sulfonyl]butanenitrile

: 309241-45-0
4-(1-phenyl-1H-tetrazole-5-sulfonyl)-butyraldehyde

Guidance literature:: 4-[(1-phenyl-1H-tetrazol-5-yl)sulfonyl]butanenitrile; With diisobutylaluminium hydride; In toluene; at -78 - -20 ℃; for 6h;

With methanol; water; silica gel; In ethyl acetate; at -20 - 20 ℃; for 1h;
DOI:10.1016/S0040-4039(00)01242-9