6,7-dihydro-2H-pyrrolo[2,1-c][1,2,4]triazol-3(5H)-one

Base Information

Chemical Name:6,7-dihydro-2H-pyrrolo[2,1-c][1,2,4]triazol-3(5H)-one
CAS No.:116056-07-6
Molecular Formula:C₅H₇N₃O
Molecular Weight:125.13
Hs Code.:
DSSTox Substance ID:DTXSID101200389
Mol file:116056-07-6.mol

Synonyms:116056-07-6;6,7-dihydro-2H-pyrrolo[2,1-c][1,2,4]triazol-3(5H)-one;3H-Pyrrolo[2,1-c]-1,2,4-triazol-3-one,2,5,6,7-tetrahydro-(9CI);2,5,6,7-tetrahydro-3H-pyrrolo[2,1-c][1,2,4]triazol-3-one;2,5,6,7-tetrahydropyrrolo[2,1-c][1,2,4]triazol-3-one;SCHEMBL3521826;DTXSID101200389;2,5,6,7-Tetrahydro-3H-pyrrolo-[2,1-c][1,2,4]triazol-3-one;MFCD15203777;AKOS002684151;BS-50956;CS-0526719;F75638;2,5,6,7-Tetrahydro-3H-pyrrolo[2,1-c]-1,2,4-triazol-3-one

Suppliers and Price of 6,7-dihydro-2H-pyrrolo[2,1-c][1,2,4]triazol-3(5H)-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

Matrix Scientific
2,5,6,7-Tetrahydro-3H-pyrrolo-[2,1-c][1,2,4]triazol-3-one 95%
1g
$ 950.00

Atlantic Research Chemicals
2,5,6,7-Tetrahydro-3H-pyrrolo[2,1-c][1,2,4]triazol-3-one 90%
500mgs:
$ 275.70

Total 4 raw suppliers

Chemical Property of 6,7-dihydro-2H-pyrrolo[2,1-c][1,2,4]triazol-3(5H)-one

Chemical Property:

PSA：50.94000
LogP:-0.07010
XLogP3:-0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:125.058911855
Heavy Atom Count:9
Complexity:187

Purity/Quality:

99%, ^*data from raw suppliers

2,5,6,7-Tetrahydro-3H-pyrrolo-[2,1-c][1,2,4]triazol-3-one 95% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CC2=NNC(=O)N2C1

Technology Process of 6,7-dihydro-2H-pyrrolo[2,1-c][1,2,4]triazol-3(5H)-one

There total 2 articles about 6,7-dihydro-2H-pyrrolo[2,1-c][1,2,4]triazol-3(5H)-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:

: 5264-35-7
2-methoxy-1-pyrroline

: 4114-31-2
ethylhydrazine carboxylate

: 116056-07-6
2,5,6,7-tetrahydro-pyrrolo[2,1-c][1,2,4]triazol-3-one

Guidance literature:: With methanol; Erhitzen des Reaktionsprodukts in 1,2-Dichlor-benzol;

Reference yield:

: 116056-07-6
3-Hydroxy-4,5-trimethylen-1,2,4-triazol

Guidance literature:: 2-Methoxy-Δ¹-pyrrolin, Hydrazinmonocarbonsaeure-ethylester/EtOH, dann sd.EtOH;

Reference yield:

: 116056-07-6
2,5,6,7-tetrahydro-pyrrolo[2,1-c][1,2,4]triazol-3-one

: 133364-92-8
2-[2-[4-[bis(4-fluorophenyl)methylene]piperidin-1-yl]ethyl]-2,5,6,7-tetrahydro-3H-pyrrolo[2,1-c]-1,2,4-triazol-3-one

Guidance literature:: Multi-step reaction with 2 steps

1: K₂CO₃ / acetonitrile / 8 h / Heating

2: 1.) NaI, 2.) K₂CO₃ / 1.) MeCN, reflux, 0.5 h, 2.) MeCN, reflux, 8 h

With potassium carbonate; sodium iodide; In acetonitrile;
DOI:10.1021/jm00079a026