1,3-Dihydro-7,8-dimethoxy-2H-3-benzazepin-2-one
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1,3-Dihydro-7,8-dimethoxy-2H-3-benzazepin-2-one
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CAS No:
73942-87-7
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Formula:
C12H13NO3
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Chemical Name:
1,3-Dihydro-7,8-dimethoxy-2H-3-benzazepin-2-one
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Synonyms:
2H-3-Benzazepin-2-one,1,3-dihydro-7,8-dimethoxy-;1,3-Dihydro-7,8-dimethoxy-2H-3-benzazepin-2-one;7,8-Dimethoxy-1,2-dihydro-3H-3-benzazepin-2-one;1202000-61-0
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CAS No:
1,3-Dihydro-7,8-dimethoxy-2H-3-benzazepin-2-one Basic Attributes
219.24
219.24
616-033-4
HV3ZHP3F8A
DTXSID10363259
2933990090
Characteristics
47.6
1.2
1.2±0.1 g/cm3
236-238 °C @ Solvent: Ethyl acetate
455.8°C at 760 mmHg
229.5±28.7 °C
1.546
>32.9 [ug/mL]
Safety Information
P273, P501
H412
H412 (97.22%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]|P273, and P501|Aggregated GHS information provided by 37 companies from 4 notifications to the ECHA C&L Inventory.|H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
1,3-Dihydro-7,8-dimethoxy-2H-3-benzazepin-2-one Use and Manufacturing
Charge 142.0 g of N-(2, 2-dimethoxyethyl)- 2-(3, 4-dimethoxyphenyl) acetamide (VIII), 710 ml of glacial acetic acid and 710 ml of cone, hydrochloric acid in a 3.0 L RB flask equipped with mechanical stirrer and thermometer pocket at 25°C. Stir for 17 hours at 25°C. Monitor the reaction by HPLC (Compound VIII should be less than 4.0percent). If HPLC complies, pour the reaction mixture on 3.0 kg of crushed ice. Stir for 30 minutes and filter the solid material. Wash with 1 L of water, suck dry and unload the material. Dry the material (IX) under vacuum at 55-60°C till the LOD comes to below 0.5percent.Weight: 51.0 g Yield: 77.5percent HPLC purity: 98.9percentThe compound N- (2, 2-dimethoxyethyl) -2- (3, 4-dimethoxyphenyl) acetamide (1.3 g, 4.59 mmol) was dissolved in 10 mL of acetic acid, Then 10 mL of hydrochloric acid was added dropwise.After completion of the dropwise addition, the mixture was stirred at room temperature for 8 hours, After the TLC detection reaction was completed, the reaction solution was poured into ice water, and a large amount of white solid was precipitated, Dried to a white solid 12a (0.62 g, yield: 61.4percent)70.0 ml of methanesulfonic acid was given to the residue obtained in and the reaction mixture was stirred at 20-25°C for 5 h. After completion of the reaction the mixture was poured into 300 ml of water. The obtained slurry was stirred for 30 min, filtered, washed until neutrality and dried. The weight of the obtained 7, 8-dimethoxy- 1 , 3 -dihydro-benzazepi n-2-one was 8.71 g (yield 77.9 percent, calculated on 3, 4-dimethoxy-phenylacetic acid) (HPLC: 99.34 percent)
7,8-Dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one is a substituted benzazepinonee derivative used in the preparation of bradycardic agents as well as isoform-selective f-current blockers.
Computed Properties
Molecular Weight:219.24
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:219.08954328
Monoisotopic Mass:219.08954328
Topological Polar Surface Area:47.6
Heavy Atom Count:16
Complexity:290
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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1,3-Dihydro-7,8-dimethoxy-2H-3-benzazepin-2-one
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