methyl 7-(2,2-dimethylpropionylamino)-2H-chromene-8-carboxylate | 1412976-26-1
中文名称
——
中文别名
——
英文名称
methyl 7-(2,2-dimethylpropionylamino)-2H-chromene-8-carboxylate
英文别名
Methyl 7-pivalamido-2H-chromene-8-carboxylate；methyl 7-(2,2-dimethylpropanoylamino)-2H-chromene-8-carboxylate
CAS
1412976-26-1
化学式
C16H19NO4
mdl
——
分子量
289.331
InChiKey
DHLBKFILBHLCOM-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
-
物化性质
-
计算性质
-
ADMET
-
安全信息
-
SDS
-
制备方法与用途
-
上下游信息
-
文献信息
-
表征谱图
-
同类化合物
-
相关功能分类
-
相关结构分类
物化性质
-
沸点：487.6±45.0 °C(Predicted)
-
密度：1.199±0.06 g/cm3(Predicted)
计算性质
-
辛醇/水分配系数(LogP)：3.2
-
重原子数：21
-
可旋转键数：4
-
环数：2.0
-
sp3杂化的碳原子比例：0.38
-
拓扑面积：64.6
-
氢给体数：1
-
氢受体数：4
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 2-(2,2-dimethylpropionylamino)-6-(prop-2-ynyloxy)benzoate 1412976-28-3 C16H19NO4 289.331 —— methyl 2-(2,2-dimethylpropionylamino)-6-hydroxybenzoate 1356113-52-4 C13H17NO4 251.282 -
下游产品
中文名称 英文名称 CAS号 化学式 分子量 —— methyl 7-(2,2-dimethylpropionylamino)-3-hydroxychroman-8-carboxylate 1448297-36-6 C16H21NO5 307.346 —— methyl 7-(2,2-dimethylpropionylamino)-3-oxochroman-8-carboxylate 1448297-35-5 C16H19NO5 305.331 —— methyl (1aRS,7bSR)-5-(2,2-dimethylpropionylamino)-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-4-carboxylate —— C17H21NO4 303.358 —— methyl (1aRS,7bSR)-1,1-dibromo-5-(2,2-dimethylpropionylamino)-1,1a,2,7b-tetrahydro-cyclopropa[c]chromene-4-carboxylate —— C17H19Br2NO4 461.15 —— methyl (1aRS,7bSR)-5-amino-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-4-carboxylate —— C12H13NO3 219.24 —— methyl (1aR,7bS)-5-amino-1,1 a,2,7b-tetrahydrocyclopropa[c]chromene-4-carboxylate 1412976-22-7 C12H13NO3 219.24 —— methyl 7-(2,2-dimethylpropionylamino)-10H-9-oxa-1,2-diazaphenanthrene-8-carboxylate 1448297-32-2 C18H19N3O4 341.367 —— methyl 3-chloro-7-(2,2-dimethylpropionylamino)-10H-9-oxa-1,2-diazaphenanthrene-8-carboxylate 1448297-33-3 C18H18ClN3O4 375.812 —— methyl 7-(2,2-dimethylpropionylamino)-3-hydroxy-10H-9-oxa-1,2-diazaphenanthrene-8-carboxylate 1448297-34-4 C18H19N3O5 357.366 —— methyl (1aRS,7bSR)-5-[2-(4-dimethylaminobutylamino)-4-fluorobenzenesulfonylamino]-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-4-carboxylate —— C24H30FN3O5S 491.584 —— methyl (1aRS,7bSR)-5-[2-((Z)-3-diethylaminoprop-1-enyl)benzenesulfonylamino]-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-4-carboxylate 1412978-15-4 C25H30N2O5S 470.59 —— methyl (1aRS,7bSR)-5-{N-[methoxycarbonyl]-N-[2-((Z)-3-hydroxyprop-1-enyl)-4-fluorobenzenesulfonyl]amino}-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-4-carboxylate 1412976-63-6 C23H22FNO8S 491.494 —— methyl (1aR,7bS)-5-{N-[2-((Z)-3-hydroxyprop-1-enyl)-4-fluorobenzenesulfonyl]-N-(methoxycarbonyl)amino}-1,1a,2,7b-tetrahydrocyclopropa-[c]chromene-4-carboxylate 1609201-39-9 C23H22FNO8S 491.494 —— methyl (1aRS,7bSR)-5-[2((Z)-3-ethylaminoprop-1-enyl)-4-fluorobenzenesulfonylamino]-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-4-carboxylate 1412976-61-4 C23H25FN2O5S 460.526 —— methyl (1aRS,7bSR)-5-[2-((Z)-3-diethylaminoprop-1-enyl)-4-fluorobenzenesulfonylamino]-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-4-carboxylate 1412976-14-7 C25H29FN2O5S 488.58 —— methyl (1aR,7bS)-5-{4-fluoro-2-[(Z)-2-((S)-pyrrolidin-2-yl)ethenyl]-benzenesulfonylamino}-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-4-carboxylate 1609201-44-6 C24H25FN2O5S 472.537 —— methyl (1aRS,7bSR)-5-{N-[4-fluoro-2-((Z)-3-hydroxy-2-methylprop-1-enyl)benzenesulfonyl]-N-(methoxycarbonyl)amino}-1,1a,2,7b-tetrahydrocyclopropa-[c]chromene-4-carboxylate 1412979-01-1 C24H24FNO8S 505.521 —— methyl (1aRS,7bSR)-5-(2-bromobenzenesulfonylamino)-1,1a,2,7b-tetrahydro-cyclopropa[c]chromene-4-carboxylate —— C18H16BrNO5S 438.299 —— methyl (1aR,7bS)-5-[N-(2-bromo-4-fluorobenzenesulfonyl)-N-(methoxycarbonyl)amino]-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-4-carboxylate 1609201-40-2 C20H17BrFNO7S 514.326 —— methyl (1aR,7bS)-5-(N-{4-fluoro-2-[(Z)-3-((S)-3-hydroxymethylpyrrolidin-1-yl)prop-1-enyl]benzenesulfonyl}-N-(methoxycarbonyl)amino)-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-4-carboxylate 1609201-47-9 C28H31FN2O8S 574.627 —— methyl (1aR,7bS)-5-(N-{4-fluoro-2-[(Z)-3-(3-hydroxy-3-methylpyrrolidin-1-yl)prop-1-enyl]benzenesulfonyl}-N-(methoxycarbonyl)amino)-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-4-carboxylate 1609201-38-8 C28H31FN2O8S 574.627 —— 5-fluoro-2-((1aR,7bS)-4-methoxycarbonyl-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-5-ylsulfamoyl)phenylacetic acid 1609201-53-7 C20H18FNO7S 435.43 —— methyl (1aRS,7bSR)-5-[2-((R)-1-ethylpyrrolidin-3-ylmethyl)-4-fluorobenzenesulfonyl-amino]-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-4-carboxylate 1609034-44-7 C25H29FN2O5S 488.58 —— methyl (1aS,7bR)-5-[2-((S)-1-ethyl-pyrrolidin-3-ylmethyl)-4-fluoro-benzenesulfonylamino]-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-4-carboxylate 1412977-52-6 C25H29FN2O5S 488.58 —— methyl (1aR,7bS)-5-[2-(1-ethylpiperidin-3-ylmethyl)-4-fluorobenzene-sulfonylamino]-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-4-carboxylate 1412979-37-3 C26H31FN2O5S 502.607 —— methyl (1aRS,7bSR)-5-(4-fluoro-2-(trifluoroacetylaminomethyl)benzenesulfonylamino)-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-4-carboxylate —— C21H18F4N2O6S 502.443 —— methyl (1aRS,7bSR)-5-(4-fluoro-(2-trifluoroacetylaminomethyl)benzenesulfonylamino)-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-4-carboxylate —— C21H18F4N2O6S 502.443 —— methyl (1aR,7bS)-5-{4-fluoro-2-[(R)-1-(2-hydroxyethyl)pyrrolidin-3-ylmethyl]benzenesulfonylamino}-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-4-carboxylate 1609201-32-2 C25H29FN2O6S 504.579 —— methyl (1aR,7bS)-5-{N-[4-fluoro-2-(2-hydroxymethylcyclopropyl)benzenesulfonyl]-N-(methoxycarbonyl)amino}-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-4-carboxylate 1609200-96-5 C24H24FNO8S 505.521 —— methyl (1aR,7bS)-5-[2-(2-diethylaminomethylcyclopropyl)-4-fluorobenzenesulfonylamino]-1,1a,2,7b-tetrahydro-cyclopropa[c]chromene-4-carboxylate 1609200-94-3 C26H31FN2O5S 502.607 —— methyl (1aR,7b5)-5-[4-fluoro-2-(methoxycarbonylmethyl)benzenesulfonylamino]-1,1a,2,7b-tetrahydrocyclopropa-[c]chromene-4-carboxylate 1609201-54-8 C21H20FNO7S 449.457 —— methyl (1 aR,7bS)-5-{4-fluoro-2-[2-(pyrrolidin-1-ylmethyl)cyclopropyl]benzenesulfonylamino}-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-4-carboxylate 1609201-01-5 C26H29FN2O5S 500.591