3-Fluoro-1-methyl-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one

Base Information

Chemical Name:3-Fluoro-1-methyl-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one
CAS No.:60628-90-2
Molecular Formula:C16H13FN2O
Molecular Weight:268.29
Hs Code.:
DSSTox Substance ID:DTXSID20519962

Synonyms:60628-90-2;SCHEMBL11482488;DTXSID20519962;SZJYHCIVEVNIOT-UHFFFAOYSA-N;3-Fluoro-1-methyl-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one;1-methyl-3-fluoro-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one

Suppliers and Price of 3-Fluoro-1-methyl-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one

Supply Marketing:

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

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Chemical Property of 3-Fluoro-1-methyl-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one

Chemical Property:

XLogP3:2.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:268.10119120
Heavy Atom Count:20
Complexity:403

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C2=CC=CC=C2C(=NC(C1=O)F)C3=CC=CC=C3

Technology Process of 3-Fluoro-1-methyl-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one

There total 4 articles about 3-Fluoro-1-methyl-5-phenyl-1,3-dihydro-2H-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: 53.0%

: 60628-89-9
3-fluoro-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one

: 74-88-4
methyl iodide

: 60628-90-2
1-methyl-3-fluoro-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one

Guidance literature:: With sodium hydride; In tetrahydrofuran; at 25 ℃; for 3h;
DOI:10.1016/S0022-1139(00)85140-4

Reference yield:

: 89722-86-1
Trifluoro-acetic acid 2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl ester

: 60628-90-2
1-methyl-3-fluoro-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one

Guidance literature:: Multi-step reaction with 3 steps

1: aq. 5 percent sodium bicarbonate / ethanol / 18 h / 25 °C

2: 88 percent / diethylaminosulfur trifluoride / CH₂Cl₂ / 1.) -70 deg C, 2.) to -10 deg C, 25 min

3: 53 percent / sodium hydride / tetrahydrofuran / 3 h / 25 °C

With diethylamino-sulfur trifluoride; sodium hydride; sodium hydrogencarbonate; In tetrahydrofuran; ethanol; dichloromethane;
DOI:10.1016/S0022-1139(00)85140-4

Reference yield:

: 13127-21-4,123632-32-6,123632-36-0
3-hydroxy-5-phenyl-1,3-dihydrobenzo[e][1,4]diazepin-2-one

: 60628-90-2
1-methyl-3-fluoro-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one

Guidance literature:: Multi-step reaction with 2 steps

1: 88 percent / diethylaminosulfur trifluoride / CH₂Cl₂ / 1.) -70 deg C, 2.) to -10 deg C, 25 min

2: 53 percent / sodium hydride / tetrahydrofuran / 3 h / 25 °C

With diethylamino-sulfur trifluoride; sodium hydride; In tetrahydrofuran; dichloromethane;
DOI:10.1016/S0022-1139(00)85140-4