3-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]propionitrile | 937057-71-1

分子结构分类

有机化合物 - 苯类化合物 - 苯和取代衍生物

中文名称

——

中文别名

——

英文名称

3-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]propionitrile

英文别名

3-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4,6-dihydropyrrolo[1,2-a][4,1]benzoxazepin-4-yl]propanenitrile

3-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]propionitrile化学式

CAS

937057-71-1

化学式

C₂₃H₂₁ClN₂O₃

mdl

——

分子量

408.884

InChiKey

FNYZVXGGIBPWKF-IFMALSPDSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

3.9
重原子数：

29
可旋转键数：

5
环数：

4.0
sp3杂化的碳原子比例：

0.26
拓扑面积：

56.4
氢给体数：

0
氢受体数：

4

上下游信息

上游原料

中文名称	英文名称	CAS号	化学式	分子量
——	2-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]ethanol	937057-69-7	C₂₂H₂₂ClNO₄	399.874
——	2-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]ethyl methanesulfonate	——	C₂₃H₂₄ClNO₆S	477.966
——	methyl 2-[8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetate	937054-13-2	C₂₃H₂₂ClNO₅	427.884
——	methyl [(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetate	937054-14-3	C₂₃H₂₂ClNO₅	427.884
——	methyl (E)-3-(1-{4-chloro-2-[(2,3-dimethoxyphenyl)(hydroxy)methyl]phenyl}-1H-pyrrol-2-yl)-2-propenoate	937057-52-8	C₂₃H₂₂ClNO₅	427.884
——	methyl (E)-3-{1-[4-chloro-2-(2,3-dimethoxybenzoyl)phenyl]-1H-pyrrol-2-yl}-2-propenoate	937057-51-7	C₂₃H₂₀ClNO₅	425.868
——	1-[4-chloro-2-(2,3-dimethoxybenzoyl)phenyl]-1H-pyrrole-2-carbaldehyde	937057-49-3	C₂₀H₁₆ClNO₄	369.804
——	[5-chloro-2-(1H-pyrrol-1-yl)phenyl](2,3-dimethoxyphenyl)methanone	937057-48-2	C₁₉H₁₆ClNO₃	341.794

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	3-[(4R,6S)-8-Chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]-1-propanol	937057-72-2	C₂₃H₂₄ClNO₄	413.901
——	3-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]propionic acid	937054-53-0	C₂₃H₂₂ClNO₅	427.884
——	Methyl 3-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]propanoate	937054-79-0	C₂₄H₂₄ClNO₅	441.911
——	3-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]propyl methanesulfonate	937057-73-3	C₂₄H₂₆ClNO₆S	491.993
——	(3-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]propanoyl)hydrazine	937058-07-6	C₂₃H₂₄ClN₃O₄	441.914
——	3-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]-N-[2-cyanoethyl]propanamide	937057-87-9	C₂₆H₂₆ClN₃O₄	479.963
——	3-((4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-1-(hydroxymethyl)-4H,6H-pyrrolo(1,2-a)(4,1)benzoxazepin-4-yl)propanoic acid	937056-51-4	C₂₄H₂₄ClNO₆	457.911
——	ethyl 5-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]-3-oxopentanoate	937058-09-8	C₂₇H₂₈ClNO₆	497.975
——	methyl 3-((4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-1-(hydroxymethyl)-4H,6H-pyrrolo(1,2-a)(4,1)benzoxazepin-4-yl)propanoate	937056-50-3	C₂₅H₂₆ClNO₆	471.938
——	(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4-[2-(1H-1,2,3,4-tetrazol-5-yl)ethyl]-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepine	937057-89-1	C₂₃H₂₂ClN₅O₃	451.912
——	2-(1-{3-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]propanoyl}-4-piperidinyl)acetic acid	937055-07-7	C₃₀H₃₃ClN₂O₆	553.055
——	2-(1-(3-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]propanoyl)-3-azetidinyl)acetic acid	937055-21-5	C₂₈H₂₉ClN₂O₆	525.001
——	1-(3-((4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl)propanoyl)-3-azetidinecarboxylic acid	937055-19-1	C₂₇H₂₇ClN₂O₆	510.974
——	2-[(1-{3-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]propanoyl}-4-piperidinyl)methoxy]acetic acid	937060-22-5	C₃₁H₃₅ClN₂O₇	583.081
——	3-[(1-{3-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]propanoyl}-4-piperidinyl)oxy]propanoic acid	937060-24-7	C₃₁H₃₅ClN₂O₇	583.081
——	ethyl 2-(1-{3-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]propanoyl}-4-piperidinyl)acetate	937055-06-6	C₃₂H₃₇ClN₂O₆	581.109
——	ethyl 2-(1-(3-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]propanoyl)-3-azetidinyl)acetate	937055-20-4	C₃₀H₃₃ClN₂O₆	553.055
——	2-[(1-{3-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]propanoyl}-4-piperidinyl)oxy]acetic acid	937060-20-3	C₃₀H₃₃ClN₂O₇	569.054
——	methyl 3-[(1-{3-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]propanoyl}-4-piperidinyl)oxy]propanoate	937060-23-6	C₃₂H₃₇ClN₂O₇	597.108
——	methyl 3-((4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-1-formyl-4H,6H-pyrrolo(1,2-a)(4,1)benzoxazepin-4-yl)propanoate	937056-49-0	C₂₅H₂₄ClNO₆	469.922
——	4-{3-[(4R,6S)-8-Chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]propanoyl}-2,6-piperazinedione	937054-87-0	C₂₇H₂₆ClN₃O₆	523.973
——	methyl 1-(3-((4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl)propanoyl)-3-azetidinecarboxylate	937055-18-0	C₂₈H₂₉ClN₂O₆	525.001
——	2-(4-{3-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]propanoyl}-1-piperazinyl)-2-oxoacetic acid	937055-09-9	C₂₉H₃₀ClN₃O₇	568.026
——	methyl 2-[(1-{3-[(4R,6S)-8-chloro-6-(2,