5H-Dibenz(b,f)azepine, 8-(ethylsulfonyl)-10-(2-(methylamino)ethyl)-5-methyl-

Base Information

• Chemical Name: 5H-Dibenz(b,f)azepine, 8-(ethylsulfonyl)-10-(2-(methylamino)ethyl)-5-methyl-
• CAS No.: 52813-96-4
• Molecular Formula: C20H24N2O2S
• Molecular Weight: 356.4818
• DSSTox Substance ID: DTXSID50200790
• Nikkaji Number: J74.744K
• Mol file: 52813-96-4.mol

Synonyms:BRN 0452199;5H-Dibenz(b,f)azepine, 8-(ethylsulfonyl)-10-(2-(methylamino)ethyl)-5-methyl-;52813-96-4;5H-Dibenz(b,f)azepine-10-ethanamine, N,5-dimethyl-8-(ethylsulfonyl)-;2-Ethylsulfonyl-5-methyl-11-(beta-methylaminoethyl)-(5H)-dibenzo(b,f)azepine;8-(Ethylsulfonyl)-10-(2-(methylamino)ethyl)-5-methyl-5H-dibenz(b,f)azepine;2-Aethylsulfonyl-5-methyl-11-(beta-methylaminoaethyl)-(5H)-dibenzo(b,f)azepin [German];2-Aethylsulfonyl-5-methyl-11-(beta-methylaminoaethyl)-(5H)-dibenzo(b,f)azepin;DTXSID50200790;LS-60490;8-Ethylsulfonyl-10-[2-(methylamino)ethyl]-5-methyl-5H-dibenz[b,f]azepine

Chemical Property of 5H-Dibenz(b,f)azepine, 8-(ethylsulfonyl)-10-(2-(methylamino)ethyl)-5-methyl-

Chemical Property:

• Vapor Pressure: 8.24E-13mmHg at 25°C
• Boiling Point: 565.5°Cat760mmHg
• Flash Point: 295.8°C
• Density: 1.159g/cm³
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 356.15584919
• Heavy Atom Count: 25
• Complexity: 581

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCS(=O)(=O)C1=CC2=C(C=C1)N(C3=CC=CC=C3C=C2CCNC)C

Technology Process of 5H-Dibenz(b,f)azepine, 8-(ethylsulfonyl)-10-(2-(methylamino)ethyl)-5-methyl-

There total 13 articles about 5H-Dibenz(b,f)azepine, 8-(ethylsulfonyl)-10-(2-(methylamino)ethyl)-5-methyl- 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: 60.0%

dimethyl-N,5 ethylthio-8 5H-dibenzazepine-10-ethanamine (52813-94-2) → [2-(8-Ethanesulfonyl-5-methyl-5H-dibenzo[b,f]azepin-10-yl)-ethyl]-methyl-amine (52813-96-4)

Guidance literature:

With dihydrogen peroxide; In acetic acid; at 65 ℃; for 4h;

Reference yield:

bromo-8 dihydro-5,11 methyl-5 10H-dibenzazepine-10-one (52813-81-7) → [2-(8-Ethanesulfonyl-5-methyl-5H-dibenzo[b,f]azepin-10-yl)-ethyl]-methyl-amine (52813-96-4)

Guidance literature:

Multi-step reaction with 11 steps

1: 100 percent / TsOH / ethanol / 1.5 h / 70 °C

2: 99 percent / pyridine, quinoline / 5 h / Heating

3: Zn / tetrahydrofuran / 4 h / 10 °C

4: 2N HCl / methanol / 4 h

5: 80 percent / KOH / ethanol / 2 h

6: 87 percent / dicyclohexyl carbodiimide / ethyl acetate / 1.5 h / Heating

7: 100 percent / CHCl₃ / 1 h / Ambient temperature

8: 7.1 g / LiAlH₄ / tetrahydrofuran / 2 h / Ambient temperature

9: 99 percent / benzene / 5 h / Heating

10: 2.84 g / KOH / butan-1-ol / 20 h / Heating

11: 60 percent / H₂O₂ / acetic acid / 4 h / 65 °C

With pyridine; quinoline; hydrogenchloride; potassium hydroxide; lithium aluminium tetrahydride; dihydrogen peroxide; toluene-4-sulfonic acid; dicyclohexyl-carbodiimide; zinc; In tetrahydrofuran; methanol; ethanol; chloroform; acetic acid; ethyl acetate; butan-1-ol; benzene;

Reference yield:

ethylthio-8 dihydro-5,11 methyl-5 10H-dibenzazepine-10-one (52813-83-9) → [2-(8-Ethanesulfonyl-5-methyl-5H-dibenzo[b,f]azepin-10-yl)-ethyl]-methyl-amine (52813-96-4)

Guidance literature:

Multi-step reaction with 9 steps

1: Zn / tetrahydrofuran / 4 h / 10 °C

2: 2N HCl / methanol / 4 h

3: 80 percent / KOH / ethanol / 2 h

4: 87 percent / dicyclohexyl carbodiimide / ethyl acetate / 1.5 h / Heating

5: 100 percent / CHCl₃ / 1 h / Ambient temperature

6: 7.1 g / LiAlH₄ / tetrahydrofuran / 2 h / Ambient temperature

7: 99 percent / benzene / 5 h / Heating

8: 2.84 g / KOH / butan-1-ol / 20 h / Heating

9: 60 percent / H₂O₂ / acetic acid / 4 h / 65 °C

With hydrogenchloride; potassium hydroxide; lithium aluminium tetrahydride; dihydrogen peroxide; dicyclohexyl-carbodiimide; zinc; In tetrahydrofuran; methanol; ethanol; chloroform; acetic acid; ethyl acetate; butan-1-ol; benzene;

upstream raw materials:

dimethyl-N,5 ethylthio-8 5H-dibenzazepine-10-ethanamine

bromo-8 dihydro-5,11 methyl-5 10H-dibenzazepine-10-one

ethylthio-8 dihydro-5,11 methyl-5 10H-dibenzazepine-10-one

5-methyl-10-oxo-10,11-dihydro-5H-dibenzo[b,f]azepine