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

Modify Date: 2024-01-09 16:16:10

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

 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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