3,6-di-tert-butyl 7-methyl (S)-1-(chloromethyl)-5-hydroxy-1,2-dihydropyrrolo[3,2-e]indole-3,6,7-tricarboxylate | 919535-18-5

分子结构分类

有机化合物 - 有机杂环化合物 - 吲哚及其衍生物

中文名称

——

中文别名

——

英文名称

3,6-di-tert-butyl 7-methyl (S)-1-(chloromethyl)-5-hydroxy-1,2-dihydropyrrolo[3,2-e]indole-3,6,7-tricarboxylate

英文别名

——

3,6-di-tert-butyl 7-methyl (S)-1-(chloromethyl)-5-hydroxy-1,2-dihydropyrrolo[3,2-e]indole-3,6,7-tricarboxylate化学式

CAS

919535-18-5

化学式

C₂₃H₂₉ClN₂O₇

mdl

——

分子量

480.945

InChiKey

MTGYGJPNWPJJDT-GFCCVEGCSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

4.99
重原子数：

33.0
可旋转键数：

2.0
环数：

3.0
sp3杂化的碳原子比例：

0.52
拓扑面积：

107.3
氢给体数：

1.0
氢受体数：

8.0

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 (S)-5-benzyloxy-3,6-bis(tert-butoxycarbonyl)-1-(chloromethyl)-1,2-dihydro-3H-pyrrolo[3,2-e]indole-7-carboxylate	736138-02-6	C₃₀H₃₅ClN₂O₇	571.07
——	1-(1,1-dimethylethyl)-2-methyl 5-[(3-chloro-2-propenyl)-(1,1-dimethylethoxy)carbonylamino]-4-iodo-7-(phenylmethoxy)indole-1,2-dicarboxylate	919535-10-7	C₃₀H₃₄ClIN₂O₇	696.967
——	methyl 7-benzyloxy-4-iodo-1-(tert-butoxycarbonyl)-5-[(tert-butoxycarbonyl)amino]indole-2-carboxylate	919535-06-1	C₂₇H₃₁IN₂O₇	622.457
——	methyl 7-(benzyloxy)-1-(tert-butoxycarbonyl)-5-[(tert-butoxycarbonyl)amino]indole-2-carboxylate	539856-50-3	C₂₇H₃₂N₂O₇	496.56
——	1-(1,1-dimethylethyl)-2-methyl-5-nitro-6-(phenylmethoxy)-indole-1,2-dicarboxylate	539856-49-0	C₂₂H₂₂N₂O₇	426.426
——	methyl 5-amino-7-(benzyloxy)-1-(tert-butoxycarbonyl)indole-2-carboxylate	539856-43-4	C₂₂H₂₄N₂O₅	396.443
——	methyl 7-(benzyloxy)-5-nitro-1H-indole-2-carboxylate	539856-42-3	C₁₇H₁₄N₂O₅	326.309

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	methyl 3-[(5-nitroindol-2-yl)carbonyl]-1-(chloromethyl)-5-hydroxy-1,2-dihydro-3H-pyrrolo[3,2-e]indole-7-carboxylate	1228694-09-4	C₂₂H₁₇ClN₄O₆	468.853
——	methyl (S)-5-(benzyloxy)-1-(chloromethyl)-3-(5-methoxyindole-2-carbonyl)-1,2-dihydropyrrolo[3,2-e]indole-2-carboxylate	1228694-07-2	C₃₀H₂₆ClN₃O₅	544.007
——	methyl 3-[(5-hydroxyindol-2-yl)carbonyl]-1-(chloromethyl)-5-benzyloxy-1,2-dihydro-3H-pyrrolo[3,2-e]indole-7-carboxylate	952140-13-5	C₂₉H₂₄ClN₃O₅	529.98
——	methyl (S)-3-[(5-hydroxy-6-methoxyindol-2-yl)carbonyl]-1-(chloromethyl)-5-hydroxy-1,2-dihydro-3H-pyrrolo[3,2-e]indole-7-carboxylate	919535-19-6	C₂₃H₂₀ClN₃O₆	469.881
——	methyl (S)-3-[(6-hydroxy-5-methoxyindol-2-yl)carbonyl]-1-(chloromethyl)-5-hydroxy-1,2-dihydro-3H-pyrrolo[3,2-e]indole-7-carboxylate	919535-22-1	C₂₃H₂₀ClN₃O₆	469.881
——	methyl (S)-5-(benzyloxy)-1-(chloromethyl)-3-(5-acetylaminoindole-2-carbonyl)-1,2-dihydropyrrolo[3,2-e]indole-2-carboxylate	1228694-10-7	C₃₁H₂₇ClN₄O₅	571.032
——	methyl (S)-5-(benzyloxy)-1-(chloromethyl)-3-(5-fluoroindole-2-carbonyl)-1,2-dihydropyrrolo[3,2-e]indole-2-carboxylate	1228694-08-3	C₂₉H₂₃ClFN₃O₄	531.971
——	methyl (S)-5-(benzyloxy)-1-(chloromethyl)-3-(5-trifluoromethoxyindole-2-carbonyl)-1,2-dihydropyrrolo[3,2-e]indole-2-carboxylate	1228694-03-8	C₃₀H₂₃ClF₃N₃O₅	597.978
——	methyl (S)-5-(benzyloxy)-1-(chloromethyl)-3-(5-methylindole-2-carbonyl)-1,2-dihydropyrrolo[3,2-e]indole-2-carboxylate	1228694-06-1	C₃₀H₂₆ClN₃O₄	528.007
——	methyl 3-[(indol-2-yl)carbonyl]-1-(chloromethyl)-5-benzyloxy-1,2-dihydro-3H-pyrrolo[3,2-e]indole-7-carboxylate	952140-15-7	C₂₉H₂₄ClN₃O₄	513.98
——	methyl 3-[(5-methoxyindol-2-yl)carbonyl]-1-(chloromethyl)-5-hydroxy-1,2-dihydro-3H-pyrrolo[3,2-e]indole-7-carboxylate	182957-22-8	C₂₃H₂₀ClN₃O₅	453.882
——	methyl (S)-5-(benzyloxy)-1-(chloromethyl)-3-(5-methylcarbamoylindole-2-carbonyl)-1,2-dihydropyrrolo[3,2-e]indole-2-carboxylate	1228694-05-0	C₃₁H₂₇ClN₄O₅	571.032
——	methyl (S)-5-(benzyloxy)-1-(chloromethyl)-3-(5-trifluoromethylindole-2-carbonyl)-1,2-dihydropyrrolo[3,2-e]indole-2-carboxylate	1228694-04-9	C₃₀H₂₃ClF₃N₃O₄	581.979
——	methyl 3-[(5-fluoroindol-2-yl)carbonyl]-1-(chloromethyl)-5-hydroxy-1,2-dihydro-3H-pyrrolo[3,2-e]indole-7-carboxylate	1228694-19-6	C₂₂H₁₇ClFN₃O₄	441.846
——	methyl 3-[(5-trifluoromethoxyindol-2-yl)carbonyl]-1-(chloromethyl)-5-hydroxy-1,2-dihydro-3H-pyrrolo[3,2-e]indole-7-carboxylate	1228694-15-2	C₂₃H₁₇ClF₃N₃O₅	507.853
——	methyl (S)-5-(benzyloxy)-1-(chloromethyl)-3-(5-acetylindole-2-carbonyl)-1,2-dihydropyrrolo[3,2-e]indole-2-carboxylate	1228694-02-7	C₃₁H₂₆ClN₃O₅	556.018
——	methyl 3-[(indol-2-yl)carbonyl]-1-(chloromethyl)-5-hydroxy-1,2-dihydro-3H-pyrrolo[3,2-e]indole-7-carboxylate	182957-23-9	C₂₂H₁₈ClN₃O₄	423.856
——	methyl (S)-4-(benzyloxy)-8-(chloromethyl)-6-(5-(methoxycarbonyl)-1H-indole-2-carbonyl)-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxylate	1228694-00-5	C₃₁H₂₆ClN₃O₆	572.017
——	methyl 3-[(5-acetylaminoindol-2-yl)carbonyl]-1-(chloromethyl)-5-hydroxy-1,2-dihydro-3H-pyrrolo[3,2-e]indole-7-carboxylate	1228694-20-9	C₂₄H₂₁ClN₄O₅	480.908
——	methyl 3-[(5-methylindol-2-yl)carbonyl]-1-(chloromethyl)-5-hydroxy-1,2-dihydro-3H-pyrrolo[3,2-e]indole-7-carboxylate	1228694-18-5	C₂₃H₂₀ClN₃O₄	437.882
——	methyl 3-[(5-trifluoromethylindol-2-yl)carbonyl]-1-(chloromethyl)-5-hydroxy-1,2-dihydro-3H-pyrrolo[3,2-e]indole-7-carboxylate	1228694-16-3	C₂₃H₁₇ClF₃N₃O₄	491.854
——	methyl 3-[(5-methylcarbamoylindol-2-yl)carbonyl]-1-(chloromethyl)-5-hydroxy-1,2-dihydro-3H-pyrrolo[3,2-e]indole-7-carboxylate	1228694-17-4	C₂₄H₂₁ClN₄O₅	480.908
——	methyl 3-[(5-acetylindol-2-yl)carbonyl]-1-(chloromethyl)-5-hydroxy-1,2-dihydro-3H-pyrrolo[3,2-e]indole-7-carboxylate	1228694-14-1	C₂₄H₂₀ClN₃O₅	465.893
——	methyl 3-[(5-methoxycarbonylindol-2-yl)carbonyl]-1-(chloromethyl)-5-hydroxy-1,2-dihydro-3H-pyrrolo[3,2-e]indole-7-carboxylate	1228694-12-9	C₂₄H₂₀ClN₃O₆	481.892
——	methyl (8S)-8-(chloromethyl)-4-hydroxy-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxylate	760924-68-3	C₁₃H₁₃ClN₂O₃	280.711
——	methyl 2-[(5-acetylaminoindol-2-yl)carbonyl]-1,2,8,8a-tetrahydrocyclopropa[c]pyrrolo[3,2-e]indol-4-one-6-carboxylate	1228694-31-2	C₂₄H₂₀N₄O₅	444.447
——