Agn-PC-00bjpn

Base Information

Chemical Name:Agn-PC-00bjpn
CAS No.:891197-40-3
Molecular Formula:C₁₃H₁₄N₂O₃
Molecular Weight:246.266
Hs Code.:
ChEMBL ID:CHEMBL2235298
DSSTox Substance ID:DTXSID00468560
Wikidata:Q82295814
Mol file:891197-40-3.mol

Synonyms:AGN-PC-00BJPN;891197-40-3;CHEMBL2235298;DTXSID00468560;2,4-dihydroxy-7,8,9,10-tetrahydroazepino[2,1-b]quinazolin-12(6h)-one

Suppliers and Price of Agn-PC-00bjpn

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

Total 1 raw suppliers

Chemical Property of Agn-PC-00bjpn

Chemical Property:

PSA：75.35000
LogP:1.53410
XLogP3:0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:0
Exact Mass:246.10044231
Heavy Atom Count:18
Complexity:382

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CCC2=NC3=C(C=C(C=C3O)O)C(=O)N2CC1

Technology Process of Agn-PC-00bjpn

There total 8 articles about Agn-PC-00bjpn 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: 79.55%

: 850656-09-6
2,4-dimethoxy-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-12-one

: 891197-40-3
2,4-dihydroxy-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-12-one

Guidance literature:: With hydrogen bromide; for 12h; Inert atmosphere; Reflux;
DOI:10.1007/s00044-011-9641-1

Reference yield:

: 122229-02-1
2,4-dibromo-7,8,9,10-tetrahydroazepino<2,1-b>quinazolin-12(6H)-one

: 891197-40-3
2,4-dihydroxy-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-12-one

Guidance literature:: Multi-step reaction with 2 steps

1: 64.23 percent / CuCl₂ / methanol / 14 h / 120 °C / 4240.61 Torr

2: 46.88 percent / HBr / H₂O / 12 h / Heating

With hydrogen bromide; copper dichloride; In methanol; water;
DOI:10.1016/j.ejmech.2005.09.010

Reference yield:

: 118-92-3,159201-01-1,50816-84-7,80206-34-4,104809-47-4
anthranilic acid

: 891197-40-3
2,4-dihydroxy-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-12-one

Guidance literature:: Multi-step reaction with 4 steps

1.1: 59.66 percent / Br₂ / methanol / 3 h / 50 °C

2.1: SOCl₂ / benzene / 2 h / Heating

2.2: 73.65 percent / benzene / 12 h

3.1: 64.23 percent / CuCl₂ / methanol / 14 h / 120 °C / 4240.61 Torr

4.1: 46.88 percent / HBr / H₂O / 12 h / Heating

With thionyl chloride; hydrogen bromide; bromine; copper dichloride; In methanol; water; benzene;
DOI:10.1016/j.ejmech.2005.09.010