Unii-8HG5QW7P7Z

Base Information

Chemical Name:Unii-8HG5QW7P7Z
CAS No.:876922-98-4
Molecular Formula:C₂₇H₂₈N₆O₂
Molecular Weight:468.558
Hs Code.:
UNII:8HG5QW7P7Z
ChEMBL ID:CHEMBL1241913
Pharos Ligand ID:991XBTA8L5FP

Synonyms:6-(2-(4-(2-methyl-5-quinolinyl)-1-piperazinyl)ethyl)-4H-imidazo(5,1-c)(1,4)benzoxazine-3-carboxamide;GSK 588045;GSK-588045;GSK588045

Suppliers and Price of Unii-8HG5QW7P7Z

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
GSK-588045 95.00%
5MG
$ 501.56

Total 3 raw suppliers

Chemical Property of Unii-8HG5QW7P7Z

Chemical Property:

PSA：90.50000
LogP:3.97200
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:468.22737416
Heavy Atom Count:35
Complexity:745

Purity/Quality:

99% ^*data from raw suppliers

GSK-588045 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=NC2=C(C=C1)C(=CC=C2)N3CCN(CC3)CCC4=C5C(=CC=C4)N6C=NC(=C6CO5)C(=O)N

Technology Process of Unii-8HG5QW7P7Z

There total 5 articles about Unii-8HG5QW7P7Z 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: 86.0%

: 876922-82-6
ethyl 6-{2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl}-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxylate

: 876922-98-4
6-{2-[4-(2-methyl-5-quinolinyl)-1-piperazinyl]ethyl}-4H-imidazo[5,1-c][1,4]benzoxazin-3-carboxamide

Guidance literature:: With sodium methylate; In methanol; formamide; at 20 - 60 ℃;
DOI:10.1021/op100103v

Reference yield:

: 6-{2-[4-(2-methyl-5-quinolinyl)-1-piperazinyl]ethyl}-4H-imidazo-[5,1-c][1,4]benzoxazine-3-carboxylic acid

: 876922-98-4
6-{2-[4-(2-methyl-5-quinolinyl)-1-piperazinyl]ethyl}-4H-imidazo[5,1-c][1,4]benzoxazin-3-carboxamide

Guidance literature:: 6-{2-[4-(2-methyl-5-quinolinyl)-1-piperazinyl]ethyl}-4H-imidazo-[5,1-c][1,4]benzoxazine-3-carboxylic acid; With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 20 ℃; for 1h;

With 1,1,1,3,3,3-hexamethyl-disilazane; In N,N-dimethyl-formamide; for 1h; Product distribution / selectivity;

Reference yield:

: 6-{2-[4-(2-methyl-5-quinolinyl)-1-piperazinyl]ethyl}-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxylic acid potassium salt

: 876922-98-4
6-{2-[4-(2-methyl-5-quinolinyl)-1-piperazinyl]ethyl}-4H-imidazo[5,1-c][1,4]benzoxazin-3-carboxamide

Guidance literature:: 6-{2-[4-(2-methyl-5-quinolinyl)-1-piperazinyl]ethyl}-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxylic acid potassium salt; With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 20 ℃; for 0.75h;

With 1,1,1,3,3,3-hexamethyl-disilazane; In N,N-dimethyl-formamide; at 20 ℃; for 2h;

With water; In N,N-dimethyl-formamide; for 0.5h; Product distribution / selectivity;