88142-60-3 (蝙蝠葛宁碱,7H-Dibenzo[de,h]quinolin-7-one,4,5,6,9-tetramethoxy-)

快速询单

结构式：

蝙蝠葛宁碱MOL文件

CAS号：

88142-60-3

中文名称：

蝙蝠葛宁碱

英文名称：

7H-Dibenzo[de,h]quinolin-7-one,4,5,6,9-tetramethoxy-

分子式：

C₂₀H₁₇NO₅

分子量：

351.352685689926

植物源：

风龙风龙

蝙蝠葛宁碱(88142-60-3)名称与标识符

名称

中文别名：

蝙蝠葛宁;蝙蝠葛宁碱;

英文别名：

7H-Dibenzo[de,h]quinolin-7-one,4,5,6,9-tetramethoxy-;4,5,6,9-Tetramethoxy-7H-dibenzo(de,h)quinolin-7-one;4,5,6,9-Tetramethoxy-7H-dibenzo[de,h]quinolin-7-one (ACI);6-O-Demethyldauriporphinoline;Bianfugenine;Dauriporphine;88142-60-3;CS-0638254;7H-Dibenzo[de,h]quinolin-7-one, 4,5,6,9-tetramethoxy-;AKOS040734156;HY-N11029;CHEMBL4214251;DTXSID90236851;5,10,11,12-tetramethoxy-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one;4,5,6,9-tetramethoxy-7H-dibenzo[de,h]quinolin-7-one;SCHEMBL12289184;CHEBI:132719;7H-Dibenzo(de,h)quinolin-7-one, 4,5,6,9-tetramethoxy-;DA-61659;5,10,11,12-tetramethoxy-16-azatetracyclo(7.7.1.02,7.013,17)heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one;DTXCID20159342;

标识符

InChIKey：

OOWSNEKQIRVGCG-UHFFFAOYSA-N

Inchi：

1S/C20H17NO5/c1-23-10-5-6-11-13(9-10)17(22)15-14-12(7-8-21-16(11)14)18(24-2)20(26-4)19(15)25-3/h5-9H,1-4H3

SMILES：

O=C1C2C3C(C(=C(C=2OC)OC)OC)=CC=NC=3C2C1=CC(=CC=2)OC

蝙蝠葛宁碱(88142-60-3)物化性质

实验特性

颜色与性状 : Powder

计算特性

精确分子量 : 351.11067264g/mol
氢键供体数量 : 0
氢键受体数量 : 6
可旋转化学键数量 : 4
同位素质量 : 351.11067264g/mol
重原子数量 : 26
复杂度 : 528
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 3.2
拓扑分子极性表面积 : 66.9Å²

蝙蝠葛宁碱(88142-60-3)推荐厂家更多厂家(6)

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上海维亦特生物科技有限公司	15317051735	赵静	2033721411	询单
四川维克奇生物科技有限公司	13348961525	杨洋	2851167780	询单

蝙蝠葛宁碱(88142-60-3)合成路线

合成路线：1 步

_49%

反应条件：

1.1 Reagents: Silver oxide (Ag2O) Solvents: Methanol , Chloroform ; 6 h, rt → reflux

参考文献：

A novel approach to oxoisoaporphine alkaloids via regioselective metalation of alkoxy isoquinolines

Melzer, Benedikt C.; et al, Beilstein Journal of Organic Chemistry, 2017, 13, 1564-1571

合成路线：1 步

反应条件：

1.1 Reagents: Silver oxide (Ag2O) Solvents: Chloroform

参考文献：

The structure of 2,3-dihydromenisporphine and the synthesis of dauriporphine, oxoisoaporphine alkaloids from Menispermum dauricum DC

Kunitomo, Jun Ichi; et al, Chemical & Pharmaceutical Bulletin, 1985, 33(7), 2778-82

合成路线：2 步

100009-76-5

88142-60-3

100009-77-6

反应条件：

1.1 Reagents: Hydrochloric acid Solvents: Water
2.1 Reagents: Silver oxide (Ag2O) Solvents: Chloroform

参考文献：

The structure of 2,3-dihydromenisporphine and the synthesis of dauriporphine, oxoisoaporphine alkaloids from Menispermum dauricum DC

Kunitomo, Jun Ichi; et al, Chemical & Pharmaceutical Bulletin, 1985, 33(7), 2778-82

合成路线：2 步

100009-77-6

88142-60-3

100009-81-2

反应条件：

1.1 Reagents: Hydrochloric acid Solvents: Water ; 2.5 h, 115 °C; 115 °C → rt
1.2 Reagents: Potassium hydroxide Solvents: Water ; pH 7, rt
1.3 Reagents: Methanesulfonic acid, mixt. with phosphorus oxide (P2O5) ; rt; 2 h, 90 °C; 90 °C → rt
1.4 Reagents: Ammonia Solvents: Water ; rt
2.1 Reagents: Silver oxide (Ag2O) Solvents: Methanol , Chloroform ; 6 h, rt → reflux

参考文献：

A novel approach to oxoisoaporphine alkaloids via regioselective metalation of alkoxy isoquinolines

Melzer, Benedikt C.; et al, Beilstein Journal of Organic Chemistry, 2017, 13, 1564-1571

合成路线：3 步

100009-76-5

88142-60-3

100009-81-2

反应条件：

1.1 Reagents: Hydrochloric acid Solvents: Water ; 2.5 h, 115 °C; 115 °C → rt
1.2 Reagents: Potassium hydroxide Solvents: Water ; pH 7, rt
2.1 Reagents: Hydrochloric acid Solvents: Water ; 2.5 h, 115 °C; 115 °C → rt
2.2 Reagents: Potassium hydroxide Solvents: Water ; pH 7, rt
2.3 Reagents: Methanesulfonic acid, mixt. with phosphorus oxide (P2O5) ; rt; 2 h, 90 °C; 90 °C → rt
2.4 Reagents: Ammonia Solvents: Water ; rt
3.1 Reagents: Silver oxide (Ag2O) Solvents: Methanol , Chloroform ; 6 h, rt → reflux

参考文献：

A novel approach to oxoisoaporphine alkaloids via regioselective metalation of alkoxy isoquinolines

Melzer, Benedikt C.; et al, Beilstein Journal of Organic Chemistry, 2017, 13, 1564-1571

合成路线：3 步

反应条件：

1.1 Solvents: Methanol
2.1 Reagents: Hydrochloric acid Solvents: Water
3.1 Reagents: Silver oxide (Ag2O) Solvents: Chloroform

参考文献：

The structure of 2,3-dihydromenisporphine and the synthesis of dauriporphine, oxoisoaporphine alkaloids from Menispermum dauricum DC

Kunitomo, Jun Ichi; et al, Chemical & Pharmaceutical Bulletin, 1985, 33(7), 2778-82

合成路线：4 步

100009-78-7

88142-60-3

100009-77-6

反应条件：

1.1 Reagents: Potassium hydroxide Solvents: Ethanol
2.1 Solvents: Methanol
3.1 Reagents: Hydrochloric acid Solvents: Water
4.1 Reagents: Silver oxide (Ag2O) Solvents: Chloroform

参考文献：

The structure of 2,3-dihydromenisporphine and the synthesis of dauriporphine, oxoisoaporphine alkaloids from Menispermum dauricum DC

Kunitomo, Jun Ichi; et al, Chemical & Pharmaceutical Bulletin, 1985, 33(7), 2778-82

合成路线：4 步

反应条件：

1.1 Reagents: Potassium carbonate Catalysts: Tetrakis(triphenylphosphine)palladium Solvents: Tetrahydrofuran , Water ; 24 h, reflux
2.1 Reagents: Hydrochloric acid Solvents: Water ; 2.5 h, 115 °C; 115 °C → rt
2.2 Reagents: Potassium hydroxide Solvents: Water ; pH 7, rt
3.1 Reagents: Methanesulfonic acid, mixt. with phosphorus oxide (P2O5) ; rt; 2 h, 90 °C; 90 °C → rt
3.2 Reagents: Ammonia Solvents: Water ; rt
4.1 Reagents: Silver oxide (Ag2O) Solvents: Methanol , Chloroform ; 6 h, rt → reflux

参考文献：

A novel approach to oxoisoaporphine alkaloids via regioselective metalation of alkoxy isoquinolines

Melzer, Benedikt C.; et al, Beilstein Journal of Organic Chemistry, 2017, 13, 1564-1571

合成路线：5 步

100009-80-1

88142-60-3

100009-77-6

反应条件：

1.1 Reagents: Cuprous cyanide Solvents: Dimethylformamide
2.1 Reagents: Potassium hydroxide Solvents: Ethanol
3.1 Solvents: Methanol
4.1 Reagents: Hydrochloric acid Solvents: Water
5.1 Reagents: Silver oxide (Ag2O) Solvents: Chloroform

参考文献：

The structure of 2,3-dihydromenisporphine and the synthesis of dauriporphine, oxoisoaporphine alkaloids from Menispermum dauricum DC

Kunitomo, Jun Ichi; et al, Chemical & Pharmaceutical Bulletin, 1985, 33(7), 2778-82

合成路线：5 步

36982-71-5

88142-60-3

100009-81-2

反应条件：

1.1 Reagents: Magnesate(1-), dichloro(2,2,6,6-tetramethylpiperidinato)-, lithium (1:1) Solvents: Toluene , Tetrahydrofuran ; 2 min, 25 °C; 4 h, 25 °C; 25 °C → 0 °C
1.2 Reagents: Iodine Solvents: Tetrahydrofuran ; 0 °C; 1 h, 25 °C
1.3 Reagents: Sodium thiosulfate , Ammonium chloride Solvents: Water ; 25 °C
2.1 Reagents: Potassium carbonate Catalysts: Tetrakis(triphenylphosphine)palladium Solvents: Tetrahydrofuran , Water ; 24 h, reflux
3.1 Reagents: Hydrochloric acid Solvents: Water ; 2.5 h, 115 °C; 115 °C → rt
3.2 Reagents: Potassium hydroxide Solvents: Water ; pH 7, rt
4.1 Reagents: Methanesulfonic acid, mixt. with phosphorus oxide (P2O5) ; rt; 2 h, 90 °C; 90 °C → rt
4.2 Reagents: Ammonia Solvents: Water ; rt
5.1 Reagents: Silver oxide (Ag2O) Solvents: Methanol , Chloroform ; 6 h, rt → reflux

参考文献：

A novel approach to oxoisoaporphine alkaloids via regioselective metalation of alkoxy isoquinolines

Melzer, Benedikt C.; et al, Beilstein Journal of Organic Chemistry, 2017, 13, 1564-1571

合成路线：6 步

100009-74-3

88142-60-3

100009-77-6

反应条件：

1.1 Reagents: Phosphorus oxychloride Solvents: Toluene
2.1 Reagents: Cuprous cyanide Solvents: Dimethylformamide
3.1 Reagents: Potassium hydroxide Solvents: Ethanol
4.1 Solvents: Methanol
5.1 Reagents: Hydrochloric acid Solvents: Water
6.1 Reagents: Silver oxide (Ag2O) Solvents: Chloroform

参考文献：

The structure of 2,3-dihydromenisporphine and the synthesis of dauriporphine, oxoisoaporphine alkaloids from Menispermum dauricum DC

Kunitomo, Jun Ichi; et al, Chemical & Pharmaceutical Bulletin, 1985, 33(7), 2778-82

合成路线：7 步

反应条件：

1.1 Reagents: Sodium hydroxide Solvents: Diethyl ether , Water
2.1 Reagents: Phosphorus oxychloride Solvents: Toluene
3.1 Reagents: Cuprous cyanide Solvents: Dimethylformamide
4.1 Reagents: Potassium hydroxide Solvents: Ethanol
5.1 Solvents: Methanol
6.1 Reagents: Hydrochloric acid Solvents: Water
7.1 Reagents: Silver oxide (Ag2O) Solvents: Chloroform

参考文献：

The structure of 2,3-dihydromenisporphine and the synthesis of dauriporphine, oxoisoaporphine alkaloids from Menispermum dauricum DC

Kunitomo, Jun Ichi; et al, Chemical & Pharmaceutical Bulletin, 1985, 33(7), 2778-82

合成路线：8 步

74317-85-4

88142-60-3

100009-77-6

反应条件：

1.1 Reagents: Thionyl chloride
2.1 Reagents: Sodium hydroxide Solvents: Diethyl ether , Water
3.1 Reagents: Phosphorus oxychloride Solvents: Toluene
4.1 Reagents: Cuprous cyanide Solvents: Dimethylformamide
5.1 Reagents: Potassium hydroxide Solvents: Ethanol
6.1 Solvents: Methanol
7.1 Reagents: Hydrochloric acid Solvents: Water
8.1 Reagents: Silver oxide (Ag2O) Solvents: Chloroform

参考文献：

The structure of 2,3-dihydromenisporphine and the synthesis of dauriporphine, oxoisoaporphine alkaloids from Menispermum dauricum DC

Kunitomo, Jun Ichi; et al, Chemical & Pharmaceutical Bulletin, 1985, 33(7), 2778-82