3,6-Dibenzyl-1,2,4,5-tetrazine

Base Information

Chemical Name:3,6-Dibenzyl-1,2,4,5-tetrazine
CAS No.:14141-65-2
Molecular Formula:C16H14 N4
Molecular Weight:262.314
Hs Code.:
NSC Number:174868
DSSTox Substance ID:DTXSID50306281
Nikkaji Number:J541.966B
Wikidata:Q82053298
ChEMBL ID:CHEMBL17726
Mol file:14141-65-2.mol

Synonyms:3,6-dibenzyl-1,2,4,5-tetrazine;14141-65-2;NSC174868;3,6-Bis(benzyl)-tetrazine;CHEMBL17726;SCHEMBL15323022;DTXSID50306281;ZGUGQUBAKCMKMJ-UHFFFAOYSA-N;3,6-Dibenzyl-[1,2,4,5]tetrazine;NSC-174868;3,6-Dibenzyl-1,2,4,5-tetraazine #;trans-3,6-Dibenzyl-1,2,4,5-tetrazine

Suppliers and Price of 3,6-Dibenzyl-1,2,4,5-tetrazine

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

Total 4 raw suppliers

Chemical Property of 3,6-Dibenzyl-1,2,4,5-tetrazine

Chemical Property:

Vapor Pressure:2.73E-09mmHg at 25°C
Boiling Point:490.5°Cat760mmHg
Flash Point:226.4°C
Density:1.186g/cm³
XLogP3:2.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:262.121846464
Heavy Atom Count:20
Complexity:236

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)CC2=NN=C(N=N2)CC3=CC=CC=C3

Technology Process of 3,6-Dibenzyl-1,2,4,5-tetrazine

There total 8 articles about 3,6-Dibenzyl-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: 95.0%

: 140-29-4
phenylacetonitrile

: 14141-65-2
3,6-dibenzyl-1,2,4,5-tetrazine

Guidance literature:: phenylacetonitrile; With nickel(II) triflate; hydrazine; at 60 ℃; for 24h; Microwave irradiation;

With hydrogenchloride; sodium nitrite; In water; N,N-dimethyl-formamide; at 20 ℃; pH=3;
DOI:10.1002/anie.201201117

Reference yield: 50.0%

: 53460-57-4
dihydro-1,2,4,5-tetrazine-3,6-dibenzyl

: 14141-65-2
3,6-dibenzyl-1,2,4,5-tetrazine

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

Reference yield: 33.8%

: 140-29-4
phenylacetonitrile

: 100-47-0
benzonitrile

: 38634-15-0
3-phenyl-6-benzyl-1,2,4,5-tetrazine

: 6830-78-0
3,6-diphenyl-1,2,4,5-tetrazine

: 14141-65-2
3,6-dibenzyl-1,2,4,5-tetrazine

Guidance literature:: phenylacetonitrile; benzonitrile; With hydrazine hydrate; sulfur; In ethanol; at 24.84 ℃; Inert atmosphere; Reflux;

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