百科

(±)-三色素蛙素

CAS号：140111-52-0

英文名：(±)-Epibatidine,(±)-exo-2-(6-Chloro-3-pyridinyl)-7-azabicyclo[2.2.1.]heptane

分子式

C11H13ClN2

熔点

密度

1.223g/cm3

分子量

208.687

沸点

336.7ºC at 760mmHg

溶解度

信号词

危险品标志

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化合物简介

Epibatidine is an alkaloid that is secreted by the Ecuadoran frog Epipedobates anthonyi. It was discovered by John W. Daly in 1974, but its structure was not fully elucidated until 1992.

基本信息

中文名称

(±)-三色素蛙素

英文名称

(±)-Epibatidine,(±)-exo-2-(6-Chloro-3-pyridinyl)-7-azabicyclo[2.2.1.]heptane

中文别名

(+/-)-地棘蛙素

英文别名

CAS号

140111-52-0

分子式

C11H13ClN2

分子量

208.687

精确质量

208.077

PSA

24.92

LOGP

2.6717

编号系统

UNII

M6K314F1XX

物化性质

密度

1.223g/cm3

沸点

336.7ºC at 760mmHg

闪点

157.4ºC

折射率

1.576

蒸汽压

0.00011mmHg at 25°C

合成路线

上游原料

(-)-(1S,4R,4aS,5S,8aS)-5-acetoxy-1,4,4a,8a-tetrahydro-endo-1,4-methanonaphthalen-8(5H)-one

868528-87-4

(1S,2R,4S)-4-(N,N-bis(tert-butoxycarbonyl)amino)-2-(6-chloropyridin-3-yl)cyclohexanol

249552-22-5

(1S,2R,4S)-4-azido-2-(6-methoxypyridin-3-yl)cyclohexyl methanesulfonate

21543-49-7

2-氯-5-羟甲基吡啶

371247-44-8

(5S,1R,3R,4R)-3-aza-4-(triethylsilyloxy)-6-(6-chloro(3-pyridyl))-5-(methoxycarbonyl)bicyclo[2.2.2]oct-2-en-2-yl (tert-butoxy)formate

上游原料

6-氯烟酸 (-)-(1S,4R,4aS,5S,8aS)-5-acetoxy-1,4,4a,8a-tetrahydro-endo-1,4-methanonaphthalen-8(5H)-one (1S,2R,4S)-4-(N,N-bis(tert-butoxycarbonyl)amino)-2-(6-chloropyridin-3-yl)cyclohexanol (1S,2R,4S)-4-azido-2-(6-methoxypyridin-3-yl)cyclohexyl methanesulfonate 2-氯-5-羟甲基吡啶 (5S,1R,3R,4R)-3-aza-4-(triethylsilyloxy)-6-(6-chloro(3-pyridyl))-5-(methoxycarbonyl)bicyclo[2.2.2]oct-2-en-2-yl (tert-butoxy)formate (4R)-3-{[(2S,1R,3R,4R)-6-aza-1-(triethylsilyloxy)-3-(6-chloro(3-pyridyl))-5-oxobicyclo[2.2.2]oct-2-yl]carbonyl}-4-benzyl-1,3-oxazolidin-2-one (1R,2S,4S)-2-((S)-3,3,3-Trifluoro-2-methoxy-2-phenyl-propionyloxy)-7-aza-bicyclo[2.2.1]heptane-7-carboxylic acid tert-butyl ester N-[(2R,1R)-2-(6-chloro(3-pyridyl))-4-oxocyclohexyl](tert-butoxy)carboxamide 5-[(1R,2S,5S)-5-Azido-2-(tert-butyl-dimethyl-silanyloxy)-cyclohexyl]-2-chloro-pyridine (2S,1R)-2-(6-chloro(3-pyridyl))-4-oxocyclohexanecarbonitrile (1R,4S)-2-氧代-7-氮杂双环[2.2.1]庚烷-7-羧酸叔丁酯 6-氯烟醛 (Z)-methyl 3-(6-chloropyridin-3-yl)acrylate 5-((1R,2S,5S)-5-azido-2-((tert-butyldimethylsilyl)oxy)cyclohexyl)-2-methoxypyridine 2-chloro-5-(1,5-cyclohexadienyl)pyridine (1R,3R,4S)-4-((tert-butyldimethylsilyl)oxy)-3-(6-methoxypyridin-3-yl)cyclohexyl methanesulfonate 2-chloro-5-(2-nitroethenyl)pyridine 5-溴-2-氯吡啶 (1S,2R,4S)-4-azido-2-(6-methoxypyridin-3-yl)cyclohexanol (1R,4S,4aR,8R,8aS)-8-{[(1,1-dimethylethyl)dimethylsilyl]oxy}-4,4a,8,8a-tetrahydro[1,4]methanonaphthalen-5(1H)-one (4S,5R,6S)-6-(6-chloropyridin-3-yl)-2-hydroxy-4-methoxy-5-nitrocyclohex-1-enecarboxylic acid allyl ester 4-N-Boc-氨基环己酮 4-(N,N-bis(tert-butoxycarbonyl)amino)cyclohexanone N-cyclohex-3-en-1-yl-2,2,2-trifluoroacetamide (-)-exo-7-[(1,1-Domethylethoxy)carbonyl]-7-azabicyclo[2.2.1]heptan-2-ol (1R,4S,4aR,7R,8S,8aS)-8-((tert-butyldimethylsilyl)oxy)-7-(6-methoxypyridin-3-yl)-4,4a,6,7,8,8a-hexahydro-1,4-methanonaphthalen-5(1H)-one (1S,2R,5S)-5-methyl-2-(2-(naphthalen-2-yl)propan-2-yl)cyclohexyl (1S,4R,5R)-5-(6-chloropyridin-3-yl)-2-oxa-3-azabicyclo[2.2.2]octane-3-carboxylate N-[(1R,2R,4R)-4-bromo-2-(6-chloro(3-pyridyl))cyclohexyl](tert-butoxy)carboxamide (1R,4S,4aR,8R,8aS)-8-hydroxy-4,4a,8,8a-tetrahydro-[1,4]methanonaphthalen-5(1H)-one (+)-N-(Trifluoroacetyl)epibatidine (1S,2R,4S)-methanesulfonic acid 4-(N,N-bis(tert-butoxycarbonyl)amino)-2-(6-chloropyridin-3-yl)cyclohexyl ester N-benzyl-N-(cyclohex-3-en-1-yl)-2,2,2-trifluoroacetamide (+)-(1S,4R,4aS,5R,8S,8aR)-5-Acetoxy-1,4,4a,5,8,8a-hexahydro-8-hydroxy-endo-1,4-methanonaphthalene (2S,1R)-2-(6-chloro(3-pyridyl))-4-oxocyclohexanecarboxamide (7R,8S)-7-(6-Chloro-pyridin-3-yl)-1,4-dioxa-spiro[4.5]decan-8-ol methyl (2S,1R,3R,4R)-6-aza-1-(triethylsilyloxy)-3-(6-chloro(3-pyridyl))-5-oxobicyclo[2.2.2]octane-2-carboxylate (1S,2R,4S)-4-azido-2-(6-chloropyridin-3-yl)cyclohexyl methanesulfonate (1S,2R,5S)-5-methyl-2-(2-(naphthalen-2-yl)propan-2-yl)cyclohexyl (1S,4R)-5-(6-chloropyridin-3-yl)-2-oxa-3-azabicyclo[2.2.2]oct-5-ene-3-carboxylate (1S,4R,5R)-tert-butyl 5-(6-chloropyridin-3-yl)-2-oxa-3-azabicyclo[2.2.2]octane-3-carboxylate (1R,3R,4S)-4-(tert-Butyl-dimethyl-silanyloxy)-3-(6-chloro-pyridin-3-yl)-cyclohexanol 2-氯-5-碘吡啶 (1R,3R,4S)-4-((tert-butyldimethylsilyl)oxy)-3-(6-methoxypyridin-3-yl)cyclohexanol (1S,4S,5R)-4-((tert-butyldimethylsilyl)oxy)-5-(6-methoxypyridin-3-yl)cyclohex-2-enol methanesulfonic acid (1R,3R,4R)-3-(6-chloropyridin-3-yl)-4-nitrocyclohexyl ester (1R,4S,4aR,5S,7R,8S,8aS)-8-((tert-butyldimethylsilyl)oxy)-7-(6-methoxypyridin-3-yl)-1,4,4a,5,6,7,8,8a-octahydro-1,4-methanonaphthalen-5-ol 3-[(2E)-3-(6-chloro(3-pyridyl))prop-2-enoyl](4R)-4-benzyl-1,3-oxazolidin-2-one