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

更新时间:2025-09-21 12:40:56

3-ethylhexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one结构式
3-ethylhexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one结构式
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常用名 3-ethylhexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one 英文名 3-ethylhexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one
CAS号 71556-72-4 分子量 261.35900
密度 1.021g/cm3 沸点 411.2ºC at 760 mmHg
分子式 C16H23NO2 熔点 N/A
MSDS N/A 闪点 202.5ºC

 名称

英文名 3-ethyl-3-(3-methoxyphenyl)-1-methylazepan-2-one
英文别名 更多

 物理化学性质

密度 1.021g/cm3
沸点 411.2ºC at 760 mmHg
分子式 C16H23NO2
分子量 261.35900
闪点 202.5ºC
精确质量 261.17300
PSA 29.54000
LogP 2.92320
InChIKey AFBQUXAODCBPRJ-UHFFFAOYSA-N
SMILES CCC1(c2cccc(OC)c2)CCCCN(C)C1=O
折射率 1.509

 合成线路

~54%

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

3-ethylhexahydr...

71556-72-4

文献: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

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详细
文献:John Wyeth and Brother Limited Patent: US4296029 A1, 1981 ;

~%

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

3-ethylhexahydr...

71556-72-4

文献: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

~%

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

3-ethylhexahydr...

71556-72-4

文献: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

~%

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

3-ethylhexahydr...

71556-72-4

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

~%

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

3-ethylhexahydr...

71556-72-4

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

~%

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

3-ethylhexahydr...

71556-72-4

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

~%

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

3-ethylhexahydr...

71556-72-4

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

 靶点实验

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来源:Center for Chemical Genomics, University of Michigan
靶标:N/A
External Id:TargetID_659_CEMA
实验名称:Screen for inhibitors of RMI FANCM (MM2) intereaction
来源:11908
靶标:N/A
External Id:RMI-FANCM-MM2
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来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id:HMS1303
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External Id:HMS979
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 英文别名

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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