3-Ethylhexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one, (S)-

Base Information

Chemical Name:3-Ethylhexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one, (S)-
CAS No.:275807-87-9
Molecular Formula:C16H23NO2
Molecular Weight:261.364
Hs Code.:
UNII:016EG4BD6Z
Wikidata:Q27231404

Synonyms:016EG4BD6Z;UNII-016EG4BD6Z;3-Ethylhexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one, (S)-;2H-Azepin-2-one, 3-ethylhexahydro-3-(3-methoxyphenyl)-1-methyl-, (-)-;2H-Azepin-2-one, 3-ethylhexahydro-3-(3-methoxyphenyl)-1-methyl-, (3S)-;275807-87-9;SCHEMBL7571079;Q27231404;(S)-3-ethylhexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one

Suppliers and Price of 3-Ethylhexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one, (S)-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Chemical Property of 3-Ethylhexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one, (S)-

Chemical Property:

XLogP3:2.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:261.172878976
Heavy Atom Count:19
Complexity:318

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCC1(CCCCN(C1=O)C)C2=CC(=CC=C2)OC
Isomeric SMILES:CC[C@]1(CCCCN(C1=O)C)C2=CC(=CC=C2)OC

Technology Process of 3-Ethylhexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one, (S)-

There total 3 articles about 3-Ethylhexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one, (S)- 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:

: 75-03-6
ethyl iodide

: 71592-43-3
hexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one

: 275807-87-9
(-)-3(S)-ethyl-3-(3-methoxyphenyl)-1-methylazepan-2-one

: 275807-86-8
(+)-3(R)-ethyl-3-(3-methoxyphenyl)-1-methylazepan-2-one

Guidance literature:: hexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one; With 2,2,6,6-tetramethyl-piperidine; n-butyllithium; In tetrahydrofuran; hexane; at 0 ℃; for 1h;

ethyl iodide; In tetrahydrofuran; hexane; at 0 - 20 ℃;
DOI:10.1021/jm020587n

Reference yield:

: 2556-73-2
1-methyl-2-azepanone

: 275807-87-9
(-)-3(S)-ethyl-3-(3-methoxyphenyl)-1-methylazepan-2-one

Guidance literature:: Multi-step reaction with 2 steps

1.1: n-BuLi; 2,2,6,6-tetramethylpiperidine / hexane; tetrahydrofuran / 0.33 h / 0 °C

1.2: 40 percent / hexane; tetrahydrofuran / 0.5 h

2.1: n-BuLi; 2,2,6,6-tetramethylpiperidine / hexane; tetrahydrofuran / 1 h / 0 °C

2.2: 5.39 g / hexane; tetrahydrofuran / 0 - 20 °C

With 2,2,6,6-tetramethyl-piperidine; n-butyllithium; In tetrahydrofuran; hexane;
DOI:10.1021/jm020587n

Reference yield:

: 766-51-8
2-Chloroanisole

: 275807-87-9
(-)-3(S)-ethyl-3-(3-methoxyphenyl)-1-methylazepan-2-one

Guidance literature:: Multi-step reaction with 2 steps

1.1: n-BuLi; 2,2,6,6-tetramethylpiperidine / hexane; tetrahydrofuran / 0.33 h / 0 °C

1.2: 40 percent / hexane; tetrahydrofuran / 0.5 h

2.1: n-BuLi; 2,2,6,6-tetramethylpiperidine / hexane; tetrahydrofuran / 1 h / 0 °C

2.2: 5.39 g / hexane; tetrahydrofuran / 0 - 20 °C

With 2,2,6,6-tetramethyl-piperidine; n-butyllithium; In tetrahydrofuran; hexane;
DOI:10.1021/jm020587n