methyl (E)-3-{1-[4-chloro-2-(2,3-dimethoxybenzoyl)phenyl]-1H-pyrrol-2-yl}-2-propenoate | 937057-51-7

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

methyl (E)-3-{1-[4-chloro-2-(2,3-dimethoxybenzoyl)phenyl]-1H-pyrrol-2-yl}-2-propenoate

英文别名

Methyl (E)-3-(1-(4-chloro-2-(2,3-dimethoxybenzoyl)phenyl)-1H-pyrrol-2-yl)-2-propenoate；methyl (E)-3-[1-[4-chloro-2-(2,3-dimethoxybenzoyl)phenyl]pyrrol-2-yl]prop-2-enoate

methyl (E)-3-{1-[4-chloro-2-(2,3-dimethoxybenzoyl)phenyl]-1H-pyrrol-2-yl}-2-propenoate化学式

CAS

937057-51-7

化学式

C₂₃H₂₀ClNO₅

mdl

——

分子量

425.868

InChiKey

ODTGEOIXWJDUNY-ZRDIBKRKSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

4.5
重原子数：

30
可旋转键数：

8
环数：

3.0
sp3杂化的碳原子比例：

0.13
拓扑面积：

66.8
氢给体数：

0
氢受体数：

5

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
——	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
(2-氨基-5-氯苯基)(2,3-二甲氧基苯基)甲酮	(2-amino-5-chlorophenyl)(2,3-dimethoxyphenyl)methanone	152911-43-8	C₁₅H₁₄ClNO₃	291.734

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	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
——	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]acetaldehyde	937057-74-4	C₂₂H₂₀ClNO₄	397.858
——	(4R,6S)-4-(2-azidoethyl)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepine	937057-90-4	C₂₂H₂₁ClN₄O₃	424.887
——	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 [(4S,6R)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetate	937054-15-4	C₂₃H₂₂ClNO₅	427.884
——	Methyl 4-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]butanoate	937054-54-1	C₂₅H₂₆ClNO₅	455.938
——	2-[8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetic acid	937054-16-5	C₂₂H₂₀ClNO₅	413.858
——	(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-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]ethyl methanesulfonate	——	C₂₃H₂₄ClNO₆S	477.966
——	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
——	(4R,6S)-4-(3-Butynyl)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepine	937058-06-5	C₂₄H₂₂ClNO₃	407.897
——	3-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]propionitrile	937057-71-1	C₂₃H₂₁ClN₂O₃	408.884
——	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)-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]propionic acid	937054-53-0	C₂₃H₂₂ClNO₅	427.884
——	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
——	methyl 3-(2-{2-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]ethyl}-2H-1,2,3,4-tetrazol-5-yl)propanoate	937055-81-7	C₂₇H₂₈ClN₅O₅	538.003
——	(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
——	5-{2-[(4R,6S)-8-Chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]ethyl}-1,3,4-oxadiazol-2(3H)-one	937058-08-7	C₂₄H₂₂ClN₃O₅	467.909
——	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
——	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
——	2-{2-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]ethyl}-2H-1,2,3,4-tetrazole-5-carboxylic acid	937055-71-5	C₂₄H₂₂ClN₅O₅	495.922
——	3-(2-{2-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]ethyl}-2H-1,2,3,4-tetrazol-5-yl)propanoic acid	937055-83-9	C₂₆H