7-Bromo-5-phenyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one

Base Information

Chemical Name:7-Bromo-5-phenyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one
CAS No.:17972-72-4
Molecular Formula:C15H13BrN2O
Molecular Weight:317.185
Hs Code.:2933990090
DSSTox Substance ID:DTXSID60377841
Nikkaji Number:J1.728.222K
ChEMBL ID:CHEMBL4648522
Mol file:17972-72-4.mol

Synonyms:17972-72-4;7-bromo-5-phenyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one;7-bromo-5-phenyl-1,3,4,5-tetrahydro-2H-benzo[e][1,4]diazepin-2-one;7-bromo-5-phenyl-1,3,4,5-tetrahydro-2h-1,4-benzodiazepin-2-one;2H-1,4-Benzodiazepin-2-one, 7-bromo-1,3,4,5-tetrahydro-5-phenyl-;Cambridge id 5647750;SCHEMBL1419713;CHEMBL4648522;DTXSID60377841;OHKBVRBTRGJEMT-UHFFFAOYSA-N;HMS1648K18;STL309704;AKOS001142883;AKOS016042364;AKOS022140544;EN300-235922;AB00091615-01;SR-01000596900;SR-01000596900-1;F0013-1107;F1597-0001;7-bromo-5-phenyl-4,5-dihydro-3H-1,4-benzodiazepin-2-ol;5-Phenyl-7-bromo-1,3,4,5-tetrahydro-2H-1,4-benzodiazepine-2-one;7-bromo-5-phenyl-2,3,4,5-tetrahydro-1h-1,4-benzodiazepin-2-one;7-bromo-5-phenyl-4,5-dihydro-1H-benzo[e][1,4]diazepin-2(3H)-one

Suppliers and Price of 7-Bromo-5-phenyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-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

American Custom Chemicals Corporation
7-BROMO-5-PHENYL-1,3,4,5-TETRAHYDRO-BENZO[E][1,4]DIAZEPIN-2-ONE 95.00%
5MG
$ 504.99

AK Scientific
7-Bromo-5-phenyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one
2.5g
$ 1155.00

AK Scientific
7-Bromo-5-phenyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one
250mg
$ 310.00

Total 9 raw suppliers

Chemical Property of 7-Bromo-5-phenyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one

Chemical Property:

Boiling Point:452.5±45.0 °C(Predicted)
PKA:13.22±0.40(Predicted)
PSA：44.62000
Density:1.422±0.06 g/cm3(Predicted)
LogP:3.49410
XLogP3:2.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:316.02113
Heavy Atom Count:19
Complexity:330

Purity/Quality:

99% ^*data from raw suppliers

7-BROMO-5-PHENYL-1,3,4,5-TETRAHYDRO-BENZO[E][1,4]DIAZEPIN-2-ONE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C(=O)NC2=C(C=C(C=C2)Br)C(N1)C3=CC=CC=C3
Uses 7-Bromo-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one is useful in the synthesis of Inhibitors for the Shiga Toxin

Technology Process of 7-Bromo-5-phenyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one

There total 7 articles about 7-Bromo-5-phenyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-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: 74.0%

: 2894-61-3
7-bromo-5-phenyl-1,3-dihydro-2H-benzo[e][1,4]diazepin-2-one

: 17972-72-4
7-bromo-5-phenyl-1,3,4,5-tetrahydro-2H-benzo[e][1,4]-diazepin-2-one

Guidance literature:: With sodium cyanoborohydride; acetic acid; In methanol; at 20 ℃; for 6h; Inert atmosphere;
DOI:10.1002/cmdc.201500139

Reference yield:

: 2835-77-0
(2-aminophenyl)(phenyl)methanone

: 17972-72-4
7-bromo-5-phenyl-1,3,4,5-tetrahydro-2H-benzo[e][1,4]-diazepin-2-one

Guidance literature:: Multi-step reaction with 4 steps

1: N-Bromosuccinimide / dichloromethane / 3 h / 0 - 20 °C / Inert atmosphere

2: dichloromethane; water / 2 h / 0 °C / Inert atmosphere; Alkaline conditions

3: ammonia / methanol / 0 - 20 °C / Inert atmosphere

4: acetic acid; sodium cyanoborohydride / methanol / 6 h / 20 °C / Inert atmosphere

With N-Bromosuccinimide; ammonia; sodium cyanoborohydride; acetic acid; In methanol; dichloromethane; water;
DOI:10.1002/cmdc.201500139

Reference yield:

: 39859-36-4
2-amino-5-bromobenzophenone

: 17972-72-4
7-bromo-5-phenyl-1,3,4,5-tetrahydro-2H-benzo[e][1,4]-diazepin-2-one

Guidance literature:: Multi-step reaction with 3 steps

1: dichloromethane; water / 2 h / 0 °C / Inert atmosphere; Alkaline conditions

2: ammonia / methanol / 0 - 20 °C / Inert atmosphere

3: acetic acid; sodium cyanoborohydride / methanol / 6 h / 20 °C / Inert atmosphere

With ammonia; sodium cyanoborohydride; acetic acid; In methanol; dichloromethane; water;
DOI:10.1002/cmdc.201500139