8-Methoxy-1H-benzo[d]azepin-2(3H)-one

Base Information

• Chemical Name: 8-Methoxy-1H-benzo[d]azepin-2(3H)-one
• CAS No.: 85175-85-5
• Molecular Formula: C11H11NO2
• Molecular Weight: 189.21
• Hs Code.: 2933990090
• European Community (EC) Number: 824-630-8
• DSSTox Substance ID: DTXSID10400971
• Nikkaji Number: J2.689.611H
• ChEMBL ID: CHEMBL1382557
• Mol file: 85175-85-5.mol

Synonyms:85175-85-5;8-Methoxy-1H-benzo[d]azepin-2(3H)-one;8-methoxy-1,3-dihydro-2H-3-benzazepin-2-one;8-methoxy-1,3-dihydro-3-benzazepin-2-one;8-methoxy-1H,3H-benzo[d]azepin-2-one;8-methoxy-2,3-dihydro-1H-3-benzazepin-2-one;8-methoxy-1,3-dihydro-2H-benzo[d]azepin-2-one;8-Methoxy-1,3-dihydro-benzo[d]azepin-2-one;MLS000763475;SCHEMBL227653;SCHEMBL2913238;CHEMBL1382557;DTXSID10400971;OQNNFDKEVAURGV-UHFFFAOYSA-N;HMS2732G19;8-methoxy-2-oxo-1H-3-benzazepine;MFCD05668913;AKOS006295204;AB89562;SMR000336812;8-Methoxy-1H-3-benzoazepine-2(3H)-one;8-methoxy-1,3-dihydrobenzo[d]azepin-2-one;CS-0138273;FT-0687540;EN300-78701;(Z)-8-Methoxy-1H-benzo[d]azepin-2(3H)-one;A24428;2,3-dihydro-8-methoxy-2-oxo-1H-3-benzazepine;8X-0973

Chemical Property of 8-Methoxy-1H-benzo[d]azepin-2(3H)-one

Chemical Property:

• PSA: 41.82000
• LogP: 1.61410
• Storage Temp.: 2-8°C
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 189.078978594
• Heavy Atom Count: 14
• Complexity: 250

Purity/Quality:

97% ^*data from raw suppliers

8-methoxy-1,3-dihydro-3-benzazepin-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=C(C=C1)C=CNC(=O)C2

Technology Process of 8-Methoxy-1H-benzo[d]azepin-2(3H)-one

There total 5 articles about 8-Methoxy-1H-benzo[d]azepin-2(3H)-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: 53.0%

N-(2,2-dimethoxyethyl)-2-(3-methoxyphenyl)acetamide (108962-85-2) → 2,3-dihydro-8-methoxy-2-oxo-1H-3-benzazepine (85175-85-5)

Guidance literature:

With hydrogenchloride; In water; acetic acid; at 20 ℃;

DOI:10.1016/j.bmcl.2012.05.076

Reference yield: 53.0%

N-(2,2-dimethoxyethyl)-2-(4-methoxyphenyl)acetamide → 2,3-dihydro-8-methoxy-2-oxo-1H-3-benzazepine (85175-85-5)

Guidance literature:

With hydrogenchloride; acetic acid; In water; at 20 ℃;

Reference yield:

m-methoxyphenylacetic acid (1798-09-0) → 2,3-dihydro-8-methoxy-2-oxo-1H-3-benzazepine (85175-85-5)

Guidance literature:

Multi-step reaction with 3 steps

1: thionyl chloride / CH₂Cl₂ / 1 h / Heating

2: triethylamine / CH₂Cl₂ / 1 h / Ambient temperature

3: glacial acetic acid, conc. HCl / 17 h / Ambient temperature

With hydrogenchloride; thionyl chloride; acetic acid; triethylamine; In dichloromethane;

DOI:10.1021/jm00167a033

upstream raw materials:

N-(2,2-dimethoxyethyl)-2-(3-methoxyphenyl)acetamide

m-methoxyphenylacetic acid

3-methoxyphenylacetic acid chloride

Downstream raw materials:

5-chloro-N₄-((2-((isopropylsulfonyl)phenylamino)pyrimidin-2-yl)amino-N₂-8-methoxy-4,5-dihydro-1H-benzo[d]azepin-3(2H)-yl)ethanol

2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-ol

7-methoxy-2,3,4,5-tetrahydro-1H-benz[d]azepine

6-[(3-cyclobutyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)oxy]-N-methyl-3-pyridinecarboxamide