5-(4-Chlorophenyl)-1,3-dihydro-2H-[1]benzofuro[3,2-E][1,4]diazepin-2-one

Base Information

• Chemical Name: 5-(4-Chlorophenyl)-1,3-dihydro-2H-[1]benzofuro[3,2-E][1,4]diazepin-2-one
• CAS No.: 70344-82-0
• Molecular Formula: C₁₇H₁₁ClN₂O₂
• Molecular Weight: 310.74
• DSSTox Substance ID: DTXSID801157351
• ChEMBL ID: CHEMBL1598446

Synonyms:5-(4-Chlorophenyl)-1,3-dihydro-2H-[1]benzofuro[3,2-E][1,4]diazepin-2-one;70344-82-0;ChemDiv1_021395;Oprea1_163590;MLS000768114;CHEMBL1598446;HMS647M11;DTXSID801157351;HMS2776D07;STK079751;AKOS001487765;CCG-110712;SMR000431513;EU-0018131;2H-Benzofuro[3,2-E]1,4-diazepin-2-one, 1,3-dihydro-5-(4-chlorophenyl)-;5-(4-Chlorophenyl)-1,3-dihydro-2H-benzofuro[3,2-e]-1,4-diazepin-2-one;9-(4-Chloro-phenyl)-5,7-dihydro-10-oxa-5,8-diaza-benzo[a]azulen-6-one;5-(4-Chlorophenyl)-1,3-dihydro-2H-[1]benzofuro[3,2-E][1,4]diazepin-2-one #

Chemical Property of 5-(4-Chlorophenyl)-1,3-dihydro-2H-[1]benzofuro[3,2-E][1,4]diazepin-2-one

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 310.0509053
• Heavy Atom Count: 22
• Complexity: 473

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C(=O)NC2=C(C(=N1)C3=CC=C(C=C3)Cl)OC4=CC=CC=C42

Technology Process of 5-(4-Chlorophenyl)-1,3-dihydro-2H-[1]benzofuro[3,2-E][1,4]diazepin-2-one

There total 1 articles about 5-(4-Chlorophenyl)-1,3-dihydro-2H-[1]benzofuro[3,2-E][1,4]diazepin-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:

[3-(2-bromo-acetylamino)-benzofuran-2-yl]-(4-chloro-phenyl)-methanone (70344-81-9) → 5-(4-chloro-phenyl)-1,3-dihydro-benzo[4,5]furo[3,2-e][1,4]diazepin-2-one (70344-82-0)

Guidance literature:

With ammonia; In diethyl ether;

DOI:10.1002/jhet.5570160136

Reference yield:

5-(4-chloro-phenyl)-1,3-dihydro-benzo[4,5]furo[3,2-e][1,4]diazepin-2-one (70344-82-0) + methyl iodide (74-88-4) → 5-(4-chloro-phenyl)-1-methyl-1,3-dihydro-benzo[4,5]furo[3,2-e][1,4]diazepin-2-one (70344-84-2)

Guidance literature:

Multistep reaction; (i) NaH, DMF, (ii) /BRN= 969135/;

DOI:10.1002/jhet.5570160136

upstream raw materials:

[3-(2-bromo-acetylamino)-benzofuran-2-yl]-(4-chloro-phenyl)-methanone

Downstream raw materials:

5-(4-chloro-phenyl)-1-methyl-1,3-dihydro-benzo[4,5]furo[3,2-e][1,4]diazepin-2-one

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