methyl 2-[8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetate | 937054-13-2

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

英文别名

Methyl 2-(8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl)acetate；methyl 2-[8-chloro-6-(2,3-dimethoxyphenyl)-4,6-dihydropyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetate

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

CAS

937054-13-2

化学式

C₂₃H₂₂ClNO₅

mdl

——

分子量

427.884

InChiKey

UJDQRDHJTMCYOV-UHFFFAOYSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

3.7
重原子数：

30
可旋转键数：

6
环数：

4.0
sp3杂化的碳原子比例：

0.26
拓扑面积：

58.9
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
——	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
——	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
——	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
——	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
——	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-[1,8-dichloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetate	937054-67-6	C₂₃H₂₁Cl₂NO₅	462.329
——	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]propionitrile	937057-71-1	C₂₃H₂₁ClN₂O₃	408.884
——	(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
——	(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 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
——	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
——	2-[1,8-dichloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetic acid	937054-68-7	C₂₂H₁₉Cl₂NO₅	448.303
——	2-{8-chloro-6-(2,3-dimethoxyphenyl)-1-[(dimethylamino)methyl]-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl}acetic acid	1375958-63-6	C₂₅H₂₇ClN₂O₅	470.953
——	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
——	(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
——	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
——	(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
——	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
——	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
——	2-[8-chloro-6-(2,3-dimethoxyphenyl)-1-(4-morpholinylmethyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetic acid	1375958-64-7	C₂₇H₂₉ClN₂O₆	512.99
——	2-(1-{2-[8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetyl}-4-piperidinyl)acetic acid	937054-18-7	C₂₉H₃₁ClN₂O₆	539.028