3,6-Bis[4-(trifluoromethyl)phenyl]-1,2,4,5-tetrazine

Base Information

Chemical Name:3,6-Bis[4-(trifluoromethyl)phenyl]-1,2,4,5-tetrazine
CAS No.:250645-59-1
Molecular Formula:C16H8F6N4
Molecular Weight:370.257
Hs Code.:
ChEMBL ID:CHEMBL18109
DSSTox Substance ID:DTXSID20517680
Nikkaji Number:J1.589.732E
Wikidata:Q82379830

Synonyms:3,6-Bis[4-(trifluoromethyl)phenyl]-1,2,4,5-tetrazine;250645-59-1;CHEMBL18109;SCHEMBL21655241;DTXSID20517680;MXNIGWQFLFFZCH-UHFFFAOYSA-N

Suppliers and Price of 3,6-Bis[4-(trifluoromethyl)phenyl]-1,2,4,5-tetrazine

Supply Marketing:

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

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Chemical Property of 3,6-Bis[4-(trifluoromethyl)phenyl]-1,2,4,5-tetrazine

Chemical Property:

XLogP3:3.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:2
Exact Mass:370.06531524
Heavy Atom Count:26
Complexity:403

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1C2=NN=C(N=N2)C3=CC=C(C=C3)C(F)(F)F)C(F)(F)F

Technology Process of 3,6-Bis[4-(trifluoromethyl)phenyl]-1,2,4,5-tetrazine

There total 7 articles about 3,6-Bis[4-(trifluoromethyl)phenyl]-1,2,4,5-tetrazine 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: 99.5%

: 3,6-bis(4-trifluoromethyl-phenyl)-1,4-dihydro-1,2,4,5-tetrazine

: 250645-59-1
3,6-bis-(4-(trifluoromethyl)phenyl)-1,2,4,5-tetrazine

Guidance literature:: With acetic acid; sodium nitrite; In diethyl ether; at 20 ℃; for 5h;
DOI:10.1016/j.bmcl.2006.04.066

Reference yield: 89.0%

: 628732-67-2
3,6-bis(4-trifluoromethyl-phenyl)-1,2-dihydro-1,2,4,5-tetrazine

: 250645-59-1
3,6-bis-(4-(trifluoromethyl)phenyl)-1,2,4,5-tetrazine

Guidance literature:: With acetic acid; sodium nitrite;
DOI:10.1016/j.bmcl.2003.12.056

Reference yield: 25.6%

: 455-18-5
4-CF₃C₆H₄CN

: 140-53-4
p-chlorobenzyl cyanide

: 71200-54-9
3,6-bis(4-chlorobenzyl)-1,2,4,5-tetrazine

: 1100715-77-2
3-[4-(trifluoromethyl)phenyl]-6-(4-chlorobenzyl)-1,2,4,5-tetrazine

: 250645-59-1
3,6-bis-(4-(trifluoromethyl)phenyl)-1,2,4,5-tetrazine

Guidance literature:: 4-CF₃C₆H₄CN; p-chlorobenzyl cyanide; With hydrazine hydrate; sulfur; In ethanol; at 24.84 ℃; Inert atmosphere; Reflux;

With acetic acid; sodium nitrite; In diethyl ether; water; for 4h;
DOI:10.1002/jhet.5570450628