6H-Pyrido(2,3-b)(1,4)benzodiazepin-6-one, 5,11-dihydro-11-(1H-imidazol-1-ylacetyl)-, hydrate

Base Information

Chemical Name:6H-Pyrido(2,3-b)(1,4)benzodiazepin-6-one, 5,11-dihydro-11-(1H-imidazol-1-ylacetyl)-, hydrate
CAS No.:79276-54-3
Molecular Formula:C17H13 N5 O2
Molecular Weight:319.32
Hs Code.:
DSSTox Substance ID:DTXSID20229599
Wikidata:Q83109897
Mol file:79276-54-3.mol

Synonyms:79276-54-3;6H-Pyrido(2,3-b)(1,4)benzodiazepin-6-one, 5,11-dihydro-11-(1H-imidazol-1-ylacetyl)-, hydrate;11-(1H-Imidazol-1-ylacetyl)-5,11-dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one hydrate;C17H13N5O2.xH2O;DTXSID20229599;C17-H13-N5-O2.x-H2-O;LS-133121

Suppliers and Price of 6H-Pyrido(2,3-b)(1,4)benzodiazepin-6-one, 5,11-dihydro-11-(1H-imidazol-1-ylacetyl)-, hydrate

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
6H-PYRIDO(2,3-B)(1,4)BENZODIAZEPIN-6-ONE, 5,11-DIHYDRO-11-(1H-IMIDAZOL-1-YLACETYL)-, HYDRATE 95.00%
5MG
$ 496.05

Total 0 raw suppliers

Chemical Property of 6H-Pyrido(2,3-b)(1,4)benzodiazepin-6-one, 5,11-dihydro-11-(1H-imidazol-1-ylacetyl)-, hydrate

Chemical Property:

Vapor Pressure:1.84E-14mmHg at 25°C
Melting Point:248-250 °C
Boiling Point:602.3°C at 760 mmHg
PKA:11.20±0.20(Predicted)
Flash Point:318.1°C
PSA：83.61000
Density:1.43g/cm³
LogP:2.09330
XLogP3:0.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:319.10692467
Heavy Atom Count:24
Complexity:499

Purity/Quality:: 6H-PYRIDO(2,3-B)(1,4)BENZODIAZEPIN-6-ONE, 5,11-DIHYDRO-11-(1H-IMIDAZOL-1-YLACETYL)-, HYDRATE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C2C(=C1)C(=O)NC3=C(N2C(=O)CN4C=CN=C4)N=CC=C3

Technology Process of 6H-Pyrido(2,3-b)(1,4)benzodiazepin-6-one, 5,11-dihydro-11-(1H-imidazol-1-ylacetyl)-, hydrate

There total 11 articles about 6H-Pyrido(2,3-b)(1,4)benzodiazepin-6-one, 5,11-dihydro-11-(1H-imidazol-1-ylacetyl)-, hydrate 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: 64.5%

: 288-32-4
1H-imidazole

: 28797-48-0
11-(chloroacetyl)-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one

: 79276-54-3
5,11-dihydro-11-<(imidazo-1'-yl)-acetyl>-6H-pyrido<2,3-b><1,4>benzodiazepin-6-one

Guidance literature:: In benzene; for 1.5h; Heating;

Reference yield:

: 84446-11-7
1-oxo-5,11-dihydro-11-imidazol-1'-ylacetyl-6H-pyrido<2,3-b><1,4>benzodiazepin-6-one

: 79276-54-3
5,11-dihydro-11-<(imidazo-1'-yl)-acetyl>-6H-pyrido<2,3-b><1,4>benzodiazepin-6-one

Guidance literature:: With hydrogen; nickel; In ethanol; at 60 ℃; for 8h;

Reference yield:

: 84446-21-9
3-(2'-chlorobenzoyl)amino-2-chloropyridine

: 79276-54-3
5,11-dihydro-11-<(imidazo-1'-yl)-acetyl>-6H-pyrido<2,3-b><1,4>benzodiazepin-6-one

Guidance literature:: Multi-step reaction with 6 steps

1: 90 percent / 40percent H₂O₂, acetic acid / 24 h / 55 - 60 °C / bath temperature

2: 8.96 g / conc. NH₄OH, CuSO₄*5H₂O, NaCl / 5 h / 80 °C

3: 96 percent / 5percent aq. HCl / various solvent(s) / 1.5 h / 110 °C / bath temperature

4: acetonitrile / 2 h / 80 °C

5: 100 percent / toluene / 2 h / 80 °C

6: H₂ / Raney nickel / ethanol / 8 h / 60 °C

With hydrogenchloride; ammonium hydroxide; hydrogen; dihydrogen peroxide; copper(II) sulfate; acetic acid; sodium chloride; nickel; In ethanol; toluene; acetonitrile;