2,4-Diethoxy-7,8,9,10-tetrahydroazepino[2,1-b]quinazolin-12(6H)-one

Base Information

Chemical Name:2,4-Diethoxy-7,8,9,10-tetrahydroazepino[2,1-b]quinazolin-12(6H)-one
CAS No.:891197-41-4
Molecular Formula:C₁₇H₂₂N₂O₃
Molecular Weight:302.373
Hs Code.:
DSSTox Substance ID:DTXSID50469966
Wikidata:Q82297912
Mol file:891197-41-4.mol

Synonyms:2,4-DHA-Q cpd;2,4-diethoxy-6,7,8,9,10,12-hexahydroazepino(2,1-b)quinazolin-12-one

Suppliers and Price of 2,4-Diethoxy-7,8,9,10-tetrahydroazepino[2,1-b]quinazolin-12(6H)-one

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 2,4-Diethoxy-7,8,9,10-tetrahydroazepino[2,1-b]quinazolin-12(6H)-one

Chemical Property:

PSA：53.35000
LogP:2.92030
XLogP3:2.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:302.16304257
Heavy Atom Count:22
Complexity:438

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC1=CC2=C(C(=C1)OCC)N=C3CCCCCN3C2=O

Technology Process of 2,4-Diethoxy-7,8,9,10-tetrahydroazepino[2,1-b]quinazolin-12(6H)-one

There total 5 articles about 2,4-Diethoxy-7,8,9,10-tetrahydroazepino[2,1-b]quinazolin-12(6H)-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: 75.0%

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

: 75-03-6
ethyl iodide

: 891197-41-4
2,4-diethoxy-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-12-one

Guidance literature:: With potassium carbonate; In acetone; at 96 - 99 ℃; for 8h; under 1758.3 - 2068.59 Torr;
DOI:10.1016/j.ejmech.2005.09.010

Reference yield:

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

: 891197-41-4
2,4-diethoxy-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-12-one

Guidance literature:: Multi-step reaction with 2 steps

1: 46.88 percent / HBr / H₂O / 12 h / Heating

2: 75 percent / potassium carbonate / acetone / 8 h / 96 - 99 °C / 1758.3 - 2068.59 Torr

With hydrogen bromide; potassium carbonate; In water; acetone;
DOI:10.1016/j.ejmech.2005.09.010

Reference yield:

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

: 891197-41-4
2,4-diethoxy-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-12-one

Guidance literature:: Multi-step reaction with 3 steps

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

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

3: 75 percent / potassium carbonate / acetone / 8 h / 96 - 99 °C / 1758.3 - 2068.59 Torr

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