5,10-Dihydro-5-methyl-11H-dibenzo[b,e][1,4]diazepin-11-one

Base Information

• Chemical Name: 5,10-Dihydro-5-methyl-11H-dibenzo[b,e][1,4]diazepin-11-one
• CAS No.: 5026-42-6
• Molecular Formula: C₁₄H₁₂N₂O
• Molecular Weight: 224.262
• DSSTox Substance ID: DTXSID00482822
• Nikkaji Number: J2.249.909B
• Wikidata: Q82319635
• Mol file: 5026-42-6.mol

Synonyms:5026-42-6;5,10-Dihydro-5-methyl-11H-dibenzo[b,e][1,4]diazepin-11-one;11-Methyl-5H-benzo[b][1,4]benzodiazepin-6-one;N-des-[2-(Dimethylamino)ethyl]dibenzepin;SCHEMBL7852676;DTXSID00482822;FT-0667135;5-Methyl-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one

Chemical Property of 5,10-Dihydro-5-methyl-11H-dibenzo[b,e][1,4]diazepin-11-one

Chemical Property:

• PSA: 35.83000
• LogP: 2.90480
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 224.094963011
• Heavy Atom Count: 17
• Complexity: 305

Purity/Quality:

5,10-Dihydro-5-methyl-11H-dibenzo[b,e][1,4]diazepin-11-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=CC=CC=C2C(=O)NC3=CC=CC=C31
• Uses: Dibenzepin (D416920) derivative. Pharmaceutically active compound.

Technology Process of 5,10-Dihydro-5-methyl-11H-dibenzo[b,e][1,4]diazepin-11-one

There total 32 articles about 5,10-Dihydro-5-methyl-11H-dibenzo[b,e][1,4]diazepin-11-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: 98.0%

N1-(2-iodophenyl)-N1-methylbenzene-1,2-diamine (869790-62-5) + carbon monoxide (201230-82-2) → 5,10-dihydro-5-methyl-11H-dibenzo[b,e][1,4]diazepin-11-one (5026-42-6)

Guidance literature:

With palladium complexed dendrimer; N-ethyl-N,N-diisopropylamine; In toluene; at 80 ℃; for 22h; under 5171.48 Torr;

DOI:10.1021/ja053650h

Reference yield: 94.0%

10-methoxy-5-methyl-5H-dibenzo[b,e][1,4]diazepin-11(10H)-one (1541201-18-6) → 5,10-dihydro-5-methyl-11H-dibenzo[b,e][1,4]diazepin-11-one (5026-42-6)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; acetic acid; at 70 ℃; for 36h;

DOI:10.1021/jo402413g

Reference yield: 85.6%

2-(methyl-phenyl-amino)-benzamide → 5,10-dihydro-5-methyl-11H-dibenzo[b,e][1,4]diazepin-11-one (5026-42-6)

Guidance literature:

With iodosylbenzene; potassium hydroxide; In methanol; at -10 ℃; for 0.5h; Reagent/catalyst; Temperature; Solvent; Green chemistry;

upstream raw materials:

tetrachloromethane

N-(2-amino-phenyl)-N-methyl-anthranilic acid

N-(2-acetylamino-phenyl)-N-methyl-anthranilic acid

glycerol