3-ethylhexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one

Modify Date: 2025-09-21 12:40:56

3-ethylhexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one Structure
3-ethylhexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one structure
 Common Name 3-ethylhexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one
CAS Number 71556-72-4 Molecular Weight 261.35900
Density 1.021g/cm3 Boiling Point 411.2ºC at 760 mmHg
Molecular Formula C16H23NO2 Melting Point N/A
MSDS N/A Flash Point 202.5ºC

 Names

Name 3-ethyl-3-(3-methoxyphenyl)-1-methylazepan-2-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.021g/cm3
Boiling Point 411.2ºC at 760 mmHg
Molecular Formula C16H23NO2
Molecular Weight 261.35900
Flash Point 202.5ºC
Exact Mass 261.17300
PSA 29.54000
LogP 2.92320
Index of Refraction 1.509
InChIKey AFBQUXAODCBPRJ-UHFFFAOYSA-N
SMILES CCC1(c2cccc(OC)c2)CCCCN(C)C1=O

 Synthetic Route

Ethyl iodide structure

Ethyl iodide

CAS#:75-03-6

hexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one structure

hexahydro-3-(3-...

CAS#:71592-43-3

~54%

3-ethylhexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one Structure

3-ethylhexahydr...

CAS#:71556-72-4

Literature: DeSolms, S. Jane; Ciccarone, Terrence M.; MacTough, Suzanne C.; Shaw, Anthony W.; Buser, Carolyn A.; Ellis-Hutchings, Michelle; Fernandes, Christine; Hamilton, Kelly A.; Huber, Hans E.; Kohl, Nancy E.; Lobell, Robert B.; Robinson, Ronald G.; Tsou, Nancy N.; Walsh, Eileen S.; Graham, Samuel L.; Beese, Lorena S.; Taylor, Jeffrey S. Journal of Medicinal Chemistry, 2003 , vol. 46, # 14 p. 2973 - 2984
2,2,6,6-Tetramethylpiperidine structure

2,2,6,6-Tetrame...

CAS#:768-66-1

1-Methylazepan-2-one structure

1-Methylazepan-2-one

CAS#:2556-73-2

2-Chloroanisole structure

2-Chloroanisole

CAS#:766-51-8

Ethyl iodide structure

Ethyl iodide

CAS#:75-03-6

~%

Detail
Literature: John Wyeth and Brother Limited Patent: US4296029 A1, 1981 ;
1-Methylazepan-2-one structure

1-Methylazepan-2-one

CAS#:2556-73-2

~%

3-ethylhexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one Structure

3-ethylhexahydr...

CAS#:71556-72-4

Literature: DeSolms, S. Jane; Ciccarone, Terrence M.; MacTough, Suzanne C.; Shaw, Anthony W.; Buser, Carolyn A.; Ellis-Hutchings, Michelle; Fernandes, Christine; Hamilton, Kelly A.; Huber, Hans E.; Kohl, Nancy E.; Lobell, Robert B.; Robinson, Ronald G.; Tsou, Nancy N.; Walsh, Eileen S.; Graham, Samuel L.; Beese, Lorena S.; Taylor, Jeffrey S. Journal of Medicinal Chemistry, 2003 , vol. 46, # 14 p. 2973 - 2984
2-Chloroanisole structure

2-Chloroanisole

CAS#:766-51-8

~%

3-ethylhexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one Structure

3-ethylhexahydr...

CAS#:71556-72-4

Literature: DeSolms, S. Jane; Ciccarone, Terrence M.; MacTough, Suzanne C.; Shaw, Anthony W.; Buser, Carolyn A.; Ellis-Hutchings, Michelle; Fernandes, Christine; Hamilton, Kelly A.; Huber, Hans E.; Kohl, Nancy E.; Lobell, Robert B.; Robinson, Ronald G.; Tsou, Nancy N.; Walsh, Eileen S.; Graham, Samuel L.; Beese, Lorena S.; Taylor, Jeffrey S. Journal of Medicinal Chemistry, 2003 , vol. 46, # 14 p. 2973 - 2984
Caprolactam structure

Caprolactam

CAS#:105-60-2

~%

3-ethylhexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one Structure

3-ethylhexahydr...

CAS#:71556-72-4

Literature: Bradley; Cavalla; Edington; et al. European Journal of Medicinal Chemistry, 1980 , vol. 15, # 4 p. 375 - 385
1-Methyl-3-(3-oxo-1-cyclohexen-1-yl)-2-azepanone structure

1-Methyl-3-(3-o...

CAS#:71556-70-2

~%

3-ethylhexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one Structure

3-ethylhexahydr...

CAS#:71556-72-4

Literature: Bradley; Cavalla; Edington; et al. European Journal of Medicinal Chemistry, 1980 , vol. 15, # 4 p. 375 - 385
3-(3-Hydroxyphenyl)-1-methyl-2-azepanone structure

3-(3-Hydroxyphe...

CAS#:71592-44-4

~%

3-ethylhexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one Structure

3-ethylhexahydr...

CAS#:71556-72-4

Literature: Bradley; Cavalla; Edington; et al. European Journal of Medicinal Chemistry, 1980 , vol. 15, # 4 p. 375 - 385
1-Methylazepan-2-one structure

1-Methylazepan-2-one

CAS#:2556-73-2

2-Chloroanisole structure

2-Chloroanisole

CAS#:766-51-8

Ethyl iodide structure

Ethyl iodide

CAS#:75-03-6

~%

3-ethylhexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one Structure

3-ethylhexahydr...

CAS#:71556-72-4

Literature: Bradley; Cavalla; Edington; et al. European Journal of Medicinal Chemistry, 1980 , vol. 15, # 4 p. 375 - 385

 Synonyms

3-Ethyl-hexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one
ethyl-3-(3-methoxyphenyl)-1-methylazepan-2-one
(-)-3-ethyl-3-(3-methoxy-phenyl)-1-methyl-azepan-2-one
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Chemsrc provides CAS#:71556-72-4 MSDS, density, melting point, boiling point, structure, etc. Its name is 3-ethylhexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one>> amp version: 3-ethylhexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one

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