1-(10-Methoxy-5H-dibenzo[b,f]azepin-5-yl)ethanone

Base Information

• Chemical Name: 1-(10-Methoxy-5H-dibenzo[b,f]azepin-5-yl)ethanone
• CAS No.: 153261-62-2
• Molecular Formula: C17H15NO2
• Molecular Weight: 265.312
• Hs Code.: 2933990090
• UNII: H68FWK6V2T
• DSSTox Substance ID: DTXSID50437600
• Mol file: 153261-62-2.mol

Synonyms:153261-62-2;1-(10-Methoxy-5H-dibenzo[b,f]azepin-5-yl)ethanone;H68FWK6V2T;1-(10-Methoxy-5H-dibenzo(b,f)azepin-5-yl)ethanone;Ethanone, 1-(10-methoxy-5H-dibenz(b,f)azepin-5-yl)-;UNII-H68FWK6V2T;DTXSID50437600;1-(10-methoxy-5H-dibenzo[b,f]azepin-5-yl)ethan-1-one

Chemical Property of 1-(10-Methoxy-5H-dibenzo[b,f]azepin-5-yl)ethanone

Chemical Property:

• PSA: 29.54000
• LogP: 3.89410
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 265.110278721
• Heavy Atom Count: 20
• Complexity: 404

Purity/Quality:

1-(10-Methoxy-5H-dibenzo[b,f]azepin-5-yl)ethanone 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)N1C2=CC=CC=C2C=C(C3=CC=CC=C31)OC

Technology Process of 1-(10-Methoxy-5H-dibenzo[b,f]azepin-5-yl)ethanone

There total 6 articles about 1-(10-Methoxy-5H-dibenzo[b,f]azepin-5-yl)ethanone 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: 96.0%

10-methoxy-5H-dibenzo[b,f]azepine (4698-11-7) + acetyl chloride (75-36-5) → 5-acetyl-10-methoxy-5H-dibenzazepine (153261-62-2)

Guidance literature:

10-methoxy-5H-dibenzo[b,f]azepine; With sodium hydride; In N,N-dimethyl-formamide; mineral oil; Inert atmosphere;

acetyl chloride; In N,N-dimethyl-formamide; mineral oil; at 23 ℃; for 1h; Inert atmosphere;

DOI:10.1055/s-0035-1560201

Reference yield: 90.0%

5-acetyl-10-oxo-10,11-dihydro-5H-dibenzazepine (28291-63-6) + trimethyl orthoformate (149-73-5) → 5-acetyl-10-methoxy-5H-dibenzazepine (153261-62-2)

Guidance literature:

With hydrogenchloride; methanol; isopropyl alcohol; for 2h; Heating;

DOI:10.1080/00397919408012646

Reference yield: 85.0%

N-acetyl-10-bromo-11-methoxy-10,11-dihydro-5H-dibenzo[b,f]azepine → 5-acetyl-10-methoxy-5H-dibenzazepine (153261-62-2)

Guidance literature:

With triethylamine; In toluene; for 24h; Reflux;

DOI:10.1021/op900127v

upstream raw materials:

5-acetyl-10-oxo-10,11-dihydro-5H-dibenzazepine

trimethyl orthoformate

5-acetyl-10,11-epoxy-10,11-dihydro-5H-dibenzazepine

N-acetyl iminostilbene

Downstream raw materials:

10-methoxy-5H-dibenzo[b,f]azepine

Refernces

• 1、 Kanase, Yuki,Kuniyoshi, Mai,Tabata, Hidetsugu,Takahashi, Yuka,Kayama, Susumu,Wakamatsu, Shintaro,Oshitari, Tetsuta,Natsugari, Hideaki,Takahashi, Hideyo. "Freezing the Butterfly Motion of Carbamazepine Derivatives". . p. 3907 - 3913. Retrieved 2015.
• 2、 -. "PROCESS FOR PRODUCING OXCARBAZEPINE VIA AN 11-ALKOXY-10-HALO-DIHYDROIMINOSTILBENE INTERMEDIATE". Page/Page column 13. . Retrieved 2010/11/29.