6-(4-bromophenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

Base Information

Chemical Name:6-(4-bromophenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CAS No.:54025-92-2
Molecular Formula:C11H9BrN4S
Molecular Weight:309.189
Hs Code.:
NSC Number:725747
DSSTox Substance ID:DTXSID50369472
Wikidata:Q82156568
Mol file:54025-92-2.mol

Synonyms:6-(4-bromophenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine;54025-92-2;SCHEMBL22510103;DTXSID50369472;OVYFAGOHECFVOK-UHFFFAOYSA-N;NSC725747;STK734692;AKOS001631709;CCG-248578;NSC-725747;EU-0039437;AP-381/41035244;6-(4-Bromophenyl)-3-methyl-7H-1,2,4- triazolo[3,4-b][1,3,4]thiadiazine

Suppliers and Price of 6-(4-bromophenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

Supply Marketing:

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

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Chemical Property of 6-(4-bromophenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

Chemical Property:

PSA：68.37000
LogP:2.14270
XLogP3:3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:307.97313
Heavy Atom Count:17
Complexity:317

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=NN=C2N1N=C(CS2)C3=CC=C(C=C3)Br

Technology Process of 6-(4-bromophenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

There total 6 articles about 6-(4-bromophenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine 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: 93.0%

: 5-(4-bromophenyl)-2-hydrazinyl-6H-1,3,4-thiadiazine monohydrobromide

: 78-39-7
Triethyl orthoacetate

: 54025-92-2
6-(4-bromophenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b]-[1,3,4]thiadiazine

Guidance literature:: With trifluoroacetic acid; at 20 ℃; for 12h; Time;
DOI:10.1007/s10593-018-2325-8

Reference yield: 80.0%

: 99-73-0,132309-76-3
para-bromophenacyl bromide

: 20939-15-5
3-methyl-4-amino-5-mercapto-1,2,4-triazole

: 54025-92-2
6-(4-bromophenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b]-[1,3,4]thiadiazine

Guidance literature:: 3-methyl-4-amino-5-mercapto-1,2,4-triazole; With tetra(n-butyl)ammonium hydrogensulfate; potassium carbonate; In dichloromethane; water; for 0.166667h;

para-bromophenacyl bromide; In dichloromethane; water;

Reference yield:

: 99-73-0,132309-76-3
para-bromophenacyl bromide

: 54025-92-2
6-(4-bromophenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b]-[1,3,4]thiadiazine

Guidance literature:: Multi-step reaction with 2 steps

1: dimethyl sulfoxide / 1 h / 20 °C

2: trifluoroacetic acid / 12 h / 20 °C

With trifluoroacetic acid; In dimethyl sulfoxide;
DOI:10.1007/s10593-018-2325-8