1-(1,1-dimethylethyl) 7-methyl 5-bromo-3-(tetrahydro-2H-thiopyran-4-yl)-1H-indole-1,7-dicarboxylate | 1065181-75-0

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

1-(1,1-dimethylethyl) 7-methyl 5-bromo-3-(tetrahydro-2H-thiopyran-4-yl)-1H-indole-1,7-dicarboxylate

英文别名

1-O-tert-butyl 7-O-methyl 5-bromo-3-(thian-4-yl)indole-1,7-dicarboxylate

1-(1,1-dimethylethyl) 7-methyl 5-bromo-3-(tetrahydro-2H-thiopyran-4-yl)-1H-indole-1,7-dicarboxylate化学式

CAS

1065181-75-0

化学式

C₂₀H₂₄BrNO₄S

mdl

——

分子量

454.385

InChiKey

RPXFQCACWCHEAY-UHFFFAOYSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

5
重原子数：

27
可旋转键数：

5
环数：

3.0
sp3杂化的碳原子比例：

0.5
拓扑面积：

82.8
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
——	methyl 5-bromo-3-(tetrahydro-2H-thiopyran-4-yl)-1H-indole-7-carboxylate	1065181-72-7	C₁₅H₁₆BrNO₂S	354.268

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	1-(1,1-dimethylethyl) 7-methyl 5-bromo-3-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-1H-indole-1,7-dicarboxylate	1065181-76-1	C₂₀H₂₄BrNO₆S	486.384
——	5-bromo-3-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-1H-indole-7-carboxylic acid	1065181-79-4	C₁₄H₁₄BrNO₄S	372.239
——	5-bromo-3-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-1H-indole-7-carboxamide	1065181-82-9	C₁₄H₁₅BrN₂O₃S	371.255
——	5-[6-(dimethylamino)-3-pyridinyl]-3-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-1H-indole-7-carboxamide	1065177-13-0	C₂₁H₂₄N₄O₃S	412.513
——	5-(4-bromo-1,3-thiazol-2-yl)-3-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-1H-indole-7-carboxamide	1065177-41-4	C₁₇H₁₆BrN₃O₃S₂	454.368
——	5-[2,3-dihydro-1-benzofuran-5-yl]-3-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-1H-indole-7-carboxamide	1065177-15-2	C₂₂H₂₂N₂O₄S	410.494
——	3-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-5-(1,3-thiazol-2-yl)-1H-indole-7-carboxamide	1065177-47-0	C₁₇H₁₇N₃O₃S₂	375.472
——	5-(5-{[{2-[(1,1-dimethylethyl)oxy]ethyl}(methyl)amino]methyl}-3-thienyl)-3-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-1H-indole-7-carboxamide	1065177-31-2	C₂₆H₃₅N₃O₄S₂	517.714
——	3-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-5-[5-(hexahydro-1H-azepin-1-ylmethyl)-3-thienyl]-1H-indole-7-carboxamide	1065177-22-1	C₂₅H₃₁N₃O₃S₂	485.671
——	3-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-5-(5-{[methyl(1-methylethyl)amino]methyl}-3-thienyl)-1H-indole-7-carboxamide	1065177-24-3	C₂₃H₂₉N₃O₃S₂	459.634
——	5-[5-(1-azetidinylmethyl)-3-thienyl]-3-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-1H-indole-7-carboxamide	1065177-16-3	C₂₂H₂₅N₃O₃S₂	443.591
——	5-(5-{[diethylamino]methyl}-3-thienyl)-3-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-1H-indole-7-carboxamide	1065177-28-7	C₂₃H₂₉N₃O₃S₂	459.634
——	3-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-5-[5-({methyl[2-(methyloxy)ethyl]amino}methyl)-3-thienyl]-1H-indole-7-carboxamide	1065177-17-4	C₂₃H₂₉N₃O₄S₂	475.633
——	3-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-5-(5-{[ethyl(methyl)amino]methyl}-3-thienyl)-1H-indole-7-carboxamide	1065177-25-4	C₂₂H₂₇N₃O₃S₂	445.607
——	5-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-1H-indole-7-carboxamide	1065178-57-5	C₁₉H₂₂N₄O₃S	386.475
——	3-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-5-[5-[(methyloxy)methyl]-2-thienyl]-1H-indole-7-carboxamide	1065177-72-1	C₂₀H₂₂N₂O₄S₂	418.538
——	3-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-5-{3-[(dimethylamino)methyl] phenyl}-1H-indole-7-carboxamide	1065177-33-4	C₂₃H₂₇N₃O₃S	425.552
——	5-[5-(1-azetidinylsulfonyl)-2-thienyl]-3-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-1H-indole-7-carboxamide	1065177-39-0	C₂₁H₂₃N₃O₅S₃	493.629
——	5-[3-({[(1S)-1,2-dimethylpropyl]amino}methyl)phenyl]-3-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-1H-indole-7-carboxamide	1065177-35-6	C₂₆H₃₃N₃O₃S	467.632
——	5-{5-[(dimethylamino)methyl]-3-thienyl}-3-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-1H-indole-7-carboxamide	1065177-23-2	C₂₁H₂₅N₃O₃S₂	431.58
——	3-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-5-{3-[(methylamino)methyl] phenyl}-1H-indole-7-carboxamide	1065177-32-3	C₂₂H₂₅N₃O₃S	411.525
——	5-[2-chloro-4-pyridinyl]-3-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-1H-indole-7-carboxamide	1065177-14-1	C₁₉H₁₈ClN₃O₃S	403.889
——	3-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-5-phenyl-1H-indole-7-carboxamide	1065175-72-5	C₂₀H₂₀N₂O₃S	368.456
——	3-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-5-(3-formylphenyl)-1H-indole-7-carboxamide	1065184-15-7	C₂₁H₂₀N₂O₄S	396.467
——	5-[4-(cyanomethyl)phenyl]-3-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-1H-indole-7-carboxamide	1065177-11-8	C₂₂H₂₁N₃O₃S	407.493
——	3-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-7-carboxamide	1065181-83-0	C₂₀H₂₇BN₂O₅S	418.322
——	5-[5-(cyclopropylmethyl)-3-thienyl]-3-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-1H-indole-7-carboxamide	1065177-71-0	C₂₂H₂₄N₂O₃S₂	428.576
——	3-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-5-(1H-indazole-5-yl)-1H-indole-7-carboxamide	1065177-40-3	C₂₁H₂₀N₄O₃S	408.481
——	3-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-5-(5-{3-methyl-3-[(triethylsilyl)oxy]butyl}-2-thienyl)-1H-indole-7-carboxamide	1065184-04-4	C₂₉H₄₂N₂O₄S₂Si	574.881
——	3-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-5-[5-(3-hydroxypropyl)-3-thienyl]-1H-indole-7-carboxamide	1065177-44-7	C₂₁H₂₄N₂O₄S₂	432.565
——	3-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-5-[5-(3-hydroxy-3-methylbutyl)-2-thienyl]-1H-indole-7-carboxamide	1065177-12-9	C₂₃H₂₈N₂O₄S₂	460.618
——	3-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-5-(5-formyl-3-thienyl)-1H-indole-7-carboxamide	1065184-10-2	C₁₉H₁₈N₂O₄S₂	402.495

反应信息

作为反应物：

描述：

1-(1,1-dimethylethyl) 7-methyl 5-bromo-3-(tetrahydro-2H-thiopyran-4-yl)-1H-indole-1,7-dicarboxylate 在四(三苯基膦)钯