2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one

Base Information

Chemical Name:2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
CAS No.:27182-43-0
Molecular Formula:C7H11 N3 O
Molecular Weight:153.18
Hs Code.:2933990090
European Community (EC) Number:824-947-1
DSSTox Substance ID:DTXSID30349717
Wikidata:Q82125135
ChEMBL ID:CHEMBL1407722
Mol file:27182-43-0.mol

Synonyms:2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one;27182-43-0;2,5,6,7,8,9-hexahydro-[1,2,4]triazolo[4,3-a]azepin-3-one;2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-one;6,7,8,9-tetrahydro-2H-[1,2,4]triazolo[4,3-a]azepin-3(5H)-one;SMR000039184;MLS000027725;SCHEMBL3521506;CHEMBL1407722;DTXSID30349717;LBVMECGJURCSOI-UHFFFAOYSA-N;HMS1738B13;HMS2337N17;MFCD00729341;STK721924;STK787611;AKOS001204704;AKOS004911237;BS-3846;NCGC00019120-01;NCGC00019120-02;CS-0215357;EN300-23760;Z164707284;6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ol;5H-[1,2,4]Triazolo[4,3-a]azepin-3-ol, 6,7,8,9-tetrahydro-;6,7,8,9-Tetrahydro-2H-1,2,4-triazolo[4,3-a]azepin-3(5H)-one

Suppliers and Price of 2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one

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

TRC
2,5,6,7,8,9-Hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
100mg
$ 60.00

Matrix Scientific
2,5,6,7,8,9-Hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
1g
$ 158.00

Matrix Scientific
2,5,6,7,8,9-Hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
500mg
$ 126.00

Crysdot
6,7,8,9-Tetrahydro-2H-[1,2,4]triazolo[4,3-a]azepin-3(5H)-one 95+%
5g
$ 469.00

ChemBridge Corporation
2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one 95%
1 g
$ 98.00

American Custom Chemicals Corporation
2,5,6,7,8,9-HEXAHYDRO-3H-[1,2,4]TRIAZOLO[4,3-A]AZEPIN-3-ONE 95.00%
5G
$ 1548.26

American Custom Chemicals Corporation
2,5,6,7,8,9-HEXAHYDRO-3H-[1,2,4]TRIAZOLO[4,3-A]AZEPIN-3-ONE 95.00%
2.5G
$ 1227.82

AK Scientific
2,5,6,7,8,9-Hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
1g
$ 293.00

Total 5 raw suppliers

Chemical Property of 2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one

Chemical Property:

Melting Point:182-183 °C(Solv: ethanol (64-17-5))
Refractive Index:1.695
Boiling Point:°Cat760mmHg
PKA:9.31±0.20(Predicted)
Flash Point:°C
PSA：50.68000
Density:1.45g/cm³
LogP:0.29780
XLogP3:0.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:153.090211983
Heavy Atom Count:11
Complexity:212

Purity/Quality:

97% ^*data from raw suppliers

2,5,6,7,8,9-Hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CCC2=NNC(=O)N2CC1

Technology Process of 2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one

There total 5 articles about 2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one 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: