1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazole, 6-(4-chlorophenyl)-3-phenyl-

Base Information

Chemical Name:1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazole, 6-(4-chlorophenyl)-3-phenyl-
CAS No.:77712-56-2
Molecular Formula:C15H9 Cl N4 S
Molecular Weight:312.782
Hs Code.:2934999090
DSSTox Substance ID:DTXSID80228346
Nikkaji Number:J3.349.836E
Wikidata:Q83108322
ChEMBL ID:CHEMBL1400176
Mol file:77712-56-2.mol

Synonyms:77712-56-2;1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazole, 6-(4-chlorophenyl)-3-phenyl-;6-(4-chlorophenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole;MLS000077959;SMR000035078;6-(4-chlorophenyl)-3-phenyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole;BRN 4514621;6-(4-Chlorophenyl)-3-phenyl-1,2,4-triazolo(3,4-b)(1,3,4)thiadiazole;MLS002582754;cid_661784;CHEMBL1400176;BDBM41302;DTXSID80228346;HMS2398J16;STK192056;AKOS001699314;CCG-119832;AE-641/01683055;1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazole,6-(4-chlorophenyl)-3-phenyl-

Suppliers and Price of 1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazole, 6-(4-chlorophenyl)-3-phenyl-

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

American Custom Chemicals Corporation
1,2,4-TRIAZOLO(3,4-B)(1,3,4)THIADIAZOLE, 6-(4-CHLOROPHENYL)-3-PHENYL- 95.00%
5MG
$ 500.65

Total 3 raw suppliers

Chemical Property of 1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazole, 6-(4-chlorophenyl)-3-phenyl-

Chemical Property:

Melting Point:195-197 °C
PKA:-1.00±0.50(Predicted)
PSA：71.32000
Density:1.49g/cm³
LogP:4.17320
XLogP3:4.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:312.0236452
Heavy Atom Count:21
Complexity:358

Purity/Quality:

99% ^*data from raw suppliers

1,2,4-TRIAZOLO(3,4-B)(1,3,4)THIADIAZOLE, 6-(4-CHLOROPHENYL)-3-PHENYL- 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C2=NN=C3N2N=C(S3)C4=CC=C(C=C4)Cl

Technology Process of 1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazole, 6-(4-chlorophenyl)-3-phenyl-

There total 3 articles about 1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazole, 6-(4-chlorophenyl)-3-phenyl- 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: 90.0%

: 56377-34-5
(Z)-3-chloro-3-(4-chlorophenyl)acrylic acid

: 22706-11-2
3-phenyl-4-amino-5-mercapto-1,2,4-triazole

: 77712-56-2
6-(4-chlorophenyl)-3-phenyl-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole

Guidance literature:: With trichlorophosphate; at 80 ℃; for 3h;
DOI:10.1016/j.tetlet.2014.05.059

Reference yield: 76.0%

: 22706-11-2
3-phenyl-4-amino-5-mercapto-1,2,4-triazole

: 74-11-3
para-chlorobenzoic acid

: 77712-56-2
6-(4-chlorophenyl)-3-phenyl-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole

Guidance literature:: With trichlorophosphate; Heating;

Reference yield:

: 3004-42-0
2-Mercapto-5-phenyl-1,3,4-oxadiazole

: 77712-56-2
6-(4-chlorophenyl)-3-phenyl-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole

Guidance literature:: Multi-step reaction with 2 steps

1: 80 percent / hydrazine hydrate / ethanol / Heating

2: 66 percent / POCl₃ / Heating

With hydrazine hydrate; trichlorophosphate; In ethanol;