9-bromonoscapine | 488721-01-3
中文名称
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中文别名
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英文名称
9-bromonoscapine
英文别名
9-bromo-α-noscapine；(S)-3-((R)-9-bromo-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6,7-dimethoxyisobenzofuran-1(3H)-one；9′-bromonoscapine；(3S)-3-[(5R)-9-bromo-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6,7-dimethoxy-3H-2-benzofuran-1-one
CAS
488721-01-3
化学式
C22H22BrNO7
mdl
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分子量
492.323
InChiKey
PLMUFLAOTAHIIZ-SJORKVTESA-N
BEILSTEIN
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EINECS
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物化性质
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计算性质
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ADMET
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安全信息
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SDS
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制备方法与用途
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上下游信息
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文献信息
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表征谱图
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同类化合物
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相关功能分类
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相关结构分类
物化性质
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熔点：169-170 °C(Solv: ethanol (64-17-5))
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沸点：595.4±50.0 °C(Predicted)
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密度：1.508±0.06 g/cm3(Predicted)
计算性质
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辛醇/水分配系数(LogP)：3.4
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重原子数：31
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可旋转键数：4
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环数：5.0
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sp3杂化的碳原子比例：0.41
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拓扑面积：75.7
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氢给体数：0
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氢受体数：8
上下游信息
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上游原料
中文名称 英文名称 CAS号 化学式 分子量 那可汀 noscapine 6035-40-1 C22H23NO7 413.427 —— noscapine 128-62-1 C22H23NO7 413.427 -
下游产品
中文名称 英文名称 CAS号 化学式 分子量 —— (S)-3-((R)-9-bromo-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-7-hydroxy-6-methoxyisobenzofuran-1(3H)-one —— C21H20BrNO7 478.296 —— (S)-3-((R)-9-bromo-4-methoxy-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6,7-dimethoxyisobenzofuran-1(3H)-one —— C21H20BrNO7 478.296 —— 3-(((S)-1-((R)-9-bromo-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-5-methoxy-3-oxo-1,3-dihydroisobenzofuran-4-yl)oxy)propane-1-sulfonic acid —— C24H26BrNO10S 600.441 —— 4-(((S)-1-((R)-9-bromo-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-5-methoxy-3-oxo-1,3-dihydroisobenzofuran-4-yl)oxy)butane-1-sulfonic acid —— C25H28BrNO10S 614.468 那可汀 noscapine 6035-40-1 C22H23NO7 413.427 —— 9'-methylnoscapine 1374880-69-9 C23H25NO7 427.454 —— (R)-5-((S)-4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline-9-carbaldehyde —— C23H23NO8 441.438 —— 9-Fluoro-Noscapine —— C22H22FNO7 431.418 —— 9-aminonoscapine 1214255-25-0 C22H24N2O7 428.442 —— (S)-6,7-dimethoxy-3-((R)-4-methoxy-9-(4-methoxyphenyl)-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)isobenzofuran-1(3H)-one 946068-67-3 C29H29NO8 519.551 —— (3S)-6,7-dimethoxy-3-((5R)-4-methoxy-6-methyl-9-phenyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)isobenzofuran-1(3H)-one 946068-65-1 C28H27NO7 489.525 —— 6,7-dimethoxy-3-(4-methoxy-6-methyl-9-p-tolyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)isobenzofuran-1(3H)-one 946068-66-2 C29H29NO7 503.552 —— 9'-(2-naphthyl)-noscapine 1621072-68-1 C32H29NO7 539.585 —— (3S)-6,7-dimethoxy-3-((5R)-4-methoxy-6-methyl-9-(4-vinylphenyl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)isobenzofuran-1(3H)-one —— C30H29NO7 515.563 —— ethyl 4-((5R)-5-((1S)-4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)benzoate —— C31H31NO9 561.588 —— 9'-(2-methoxyphenyl)-noscapine 1621072-66-9 C29H29NO8 519.551 —— (3S)-6,7-dimethoxy-3-((5R)-4-methoxy-6-methyl-9-(4-(trifluoromethyl)phenyl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)isobenzofuran-1(3H)-one —— C29H26F3NO7 557.523 —— (S)-6,7-dimethoxy-3-((R)-4-methoxy-6-methyl-9-(pyridin-4-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)isobenzofuran-1(3H)-one —— C27H26N2O7 490.513 —— (S)-6,7-dimethoxy-3-((R)-4-methoxy-6-methyl-9-(3-(trifluoromethyl)phenyl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)isobenzofuran-1(3H)-one —— C29H26F3NO7 557.523 —— 9-azido-α-noscapine 1214255-24-9 C22H22N4O7 454.439 —— N-(3-((5R)-5-((1S)-4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)phenyl)acetamide —— C30H30N2O8 546.577 —— (3S)-6,7-dimethoxy-3-((5R)-4-methoxy-6-methyl-9-(pyridin-3-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)isobenzofuran-1(3H)-one —— C27H26N2O7 490.513 —— 9-Nitro-Noscapine —— C22H22N2O9 458.425 —— ethyl 2-chloro-5-((5R)-5-((1S)-4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)benzoate —— C31H30ClNO9 596.034 —— 2-(9-bromo-4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(thiophen-2-yl)ethan-1-one —— C18H18BrNO4S 424.315 1,3-二氧杂环戊烯并[4,5-g]异喹啉-5-醇,5,6,7,8-四氢-4-甲氧基-6-甲基- 4-methoxy-6-methyl-5,6,7,8-tetrahydro-1,3-dioxolo[4,5-g]isoquinolin-5-ol 82-54-2 C12H15NO4 237.255 - 1
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反应信息
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作为反应物：描述：9-bromonoscapine 在 sodium azide 、 sodium iodide