3,4-dihydro-1H-benzo[e][1,4]diazepin-5(2H)-one

Base Information

• Chemical Name: 3,4-dihydro-1H-benzo[e][1,4]diazepin-5(2H)-one
• CAS No.: 28544-83-4
• Molecular Formula: C9H10N2O
• Molecular Weight: 162.1885
• Hs Code.: 2933990090
• European Community (EC) Number: 817-168-3
• DSSTox Substance ID: DTXSID80547140
• Wikidata: Q82425182
• Mol file: 28544-83-4.mol

Synonyms:1,2,3,4-tetrahydrobenzo(e)(1,4)diazepin-5-one;TH-BDAO

Chemical Property of 3,4-dihydro-1H-benzo[e][1,4]diazepin-5(2H)-one

Chemical Property:

• Melting Point: 143-145 °C
• Boiling Point: 376.1 °C at 760 mmHg
• PKA: 14.00±0.20(Predicted)
• Flash Point: 178.7 °C
• PSA: 41.13000
• Density: 1.137 g/cm³
• LogP: 1.71670
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 162.079312947
• Heavy Atom Count: 12
• Complexity: 181

Purity/Quality:

97% ^*data from raw suppliers

1,2,3,4-Tetrahydrobenzo(E)(1,4)diazepin-5-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNC(=O)C2=CC=CC=C2N1

Technology Process of 3,4-dihydro-1H-benzo[e][1,4]diazepin-5(2H)-one

There total 8 articles about 3,4-dihydro-1H-benzo[e][1,4]diazepin-5(2H)-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: 52.6%

methyl chlorobenzoate (610-96-8) + ethylenediamine (107-15-3,85404-18-8) → 1,2,3,4-tetrahydro-5H-benzo[e][1,4]diazepin-5-one (28544-83-4)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; Inert atmosphere;

Reference yield: 50.0%

5-Methoxy-2,3-dihydro-1H-benzo[e][1,4]diazepine (107468-22-4) → 1,2,3,4-tetrahydro-5H-benzo[e][1,4]diazepin-5-one (28544-83-4)

Guidance literature:

With chloranil; In xylene; for 3h; Heating;

Reference yield: 37.0%

1,4-benzodiazepine-2,5-dione (5118-94-5) → 1,2,3,4-tetrahydro-5H-benzo[e][1,4]diazepin-5-one (28544-83-4)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 14h; Heating;

DOI:10.1016/j.bmc.2004.03.023

upstream raw materials:

5-Methoxy-2,3-dihydro-1H-benzo[e][1,4]diazepine

2,3-dihydroquinolin-4(1H)-one

1,4-benzodiazepine-2,5-dione

4-quinolyl azide

Downstream raw materials:

1-allyl-5-[4-(2-methoxyphenyl)piperazin-1-yl]-2,3-dihydro-1H-1,4-benzodiazepine

1-allyl-5-[4-(4-fluorophenyl)piperazin-1-yl]-2,3-dihydro-1H-1,4-benzodiazepine

1-(2-methoxypentadecylbenzyl)-3,4-dihydro-1H-benzo[e][1,4]diazepin-5(2H)-one

2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 28544-83-4 1,2,3,4-tetrahydrobenzo(e)(1,4)diazepin-5-one

Send

Send

Metric Ton KG G Pound L ML

Send

Send