87657-77-0 (益智醇,Oxyphyllacinol)

快速询单

结构式：

益智醇MOL文件

CAS号：

87657-77-0

中文名称：

益智醇

英文名称：

Oxyphyllacinol

分子式：

C₂₀H₂₆O₃

分子量：

314.418646335602

简介：

Oxyphyllacinol 是一种可以从 Alpinia oxyphylla 果实中分离出的天然产物。

API：

Oxyphyllacinol

益智醇(87657-77-0)名称与标识符

名称

英文别名：

1-(4-hydroxy-3-methoxyphenyl)-7-phenyl-3-heptanol;oxyphyllacinol;α-[2-(4-Hydroxy-3-methoxyphenyl)ethyl]benzenepentanol (ACI);Benzenepentanol?;CS-0202400;F82995;HY-N9633;AKOS040768046;DA-66422;4-(3-hydroxy-7-phenyl-heptyl)-2-methoxy-phenol;4-(3-hydroxy-7-phenylheptyl)-2-methoxyphenol;87657-77-0;MS-24621;

标识符

MDL：

MFCD34593644

InChIKey：

DHUCMVAZNHOIPY-UHFFFAOYSA-N

Inchi：

1S/C20H26O3/c1-23-20-15-17(12-14-19(20)22)11-13-18(21)10-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,12,14-15,18,21-22H,5-6,9-11,13H2,1H3

SMILES：

OC1C(OC)=CC(CCC(CCCCC2C=CC=CC=2)O)=CC=1

益智醇(87657-77-0)物化性质

计算特性

精确分子量 : 314.18819469g/mol
氢键供体数量 : 2
氢键受体数量 : 3
可旋转化学键数量 : 9
同位素质量 : 314.18819469g/mol
重原子数量 : 23
复杂度 : 301
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 : 1
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） : 4.1
拓扑分子极性表面积 : 49.7Å²

益智醇(87657-77-0)推荐厂家更多厂家(15)

公司名称	手机号/电话	联系人	QQ	询单
南京本草益康生物科技有限公司	18362932668 025-69790911	苏经理	522593521	询单
湖北萃园生物科技有限公司	18162756256 027-84759766	金生 Jeremy	1197063825	询单
上海源叶生物科技有限公司	15026964105 15026964105	汤思磊	2881489226	询单
上海瀚思化工有限公司	18939883912 021-34536277	顾经理	3003949364	询单
上海创赛科技有限公司	15021221957 021-59553580	凌度	2852351983	询单
武汉天植生物技术有限公司	18607107848	张小姐	2056216494	询单
上海甄准生物科技有限公司	18217024652 021-68920155	张经理18217024652	3001084617	询单
上海超岚化工科技中心	13301690235	linda	3027278462	询单
北京索莱宝科技有限公司	18101056239 010-50973130	龚思雨	3193328036	询单
MedChemExpress（MCE 中国）	13611715263 021-58955995	MCE生命科学试剂	2881321772	询单

益智醇(87657-77-0)合成路线

合成路线：1 步

78954-23-1

87657-77-0

反应条件：

1.1 Reagents: Sodium borohydride Solvents: Methanol ; rt

参考文献：

Concise and efficient total synthesis of oxyphyllacinol, yakuchione-A and yakuchione-B

Shi, Xiang; et al, Synthetic Communications, 2022, 52(4), 513-520

合成路线：2 步

13633-25-5

138152-12-2

87657-77-0

反应条件：

1.1 Reagents: Magnesium Catalysts: Iodine Solvents: Tetrahydrofuran ; 40 °C; 1 h, 40 °C; 40 °C → 0 °C
1.2 0 °C; 3 h, 0 °C → rt
2.1 Reagents: Sodium borohydride Solvents: Methanol ; rt

参考文献：

Concise and efficient total synthesis of oxyphyllacinol, yakuchione-A and yakuchione-B

Shi, Xiang; et al, Synthetic Communications, 2022, 52(4), 513-520

合成路线：2 步

78925-41-4

87657-77-0

反应条件：

1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol
2.1 Reagents: Sodium borohydride Solvents: Methanol ; rt

参考文献：

Concise and efficient total synthesis of oxyphyllacinol, yakuchione-A and yakuchione-B

Shi, Xiang; et al, Synthetic Communications, 2022, 52(4), 513-520

合成路线：2 步

81840-57-5

87657-77-0

反应条件：

1.1 Reagents: Carbon monoxide , Selenium ; 30 atm, 50 - 100 °C
2.1 Reagents: Sodium borohydride Solvents: Methanol ; rt

参考文献：

Concise and efficient total synthesis of oxyphyllacinol, yakuchione-A and yakuchione-B

Shi, Xiang; et al, Synthetic Communications, 2022, 52(4), 513-520

合成路线：3 步

1430215-03-4

13633-25-5

87657-77-0

反应条件：

1.1 Reagents: Magnesium Catalysts: Iodine Solvents: Tetrahydrofuran ; rt
2.1 Reagents: Carbon monoxide , Selenium ; 30 atm, 50 - 100 °C
3.1 Reagents: Sodium borohydride Solvents: Methanol ; rt

参考文献：

Concise and efficient total synthesis of oxyphyllacinol, yakuchione-A and yakuchione-B

Shi, Xiang; et al, Synthetic Communications, 2022, 52(4), 513-520

合成路线：3 步

14171-89-2

2426-87-1

87657-77-0

反应条件：

1.1 -
2.1 Reagents: Hydrogen Catalysts: Palladium
3.1 Reagents: Sodium borohydride Solvents: Methanol ; rt

参考文献：

Concise and efficient total synthesis of oxyphyllacinol, yakuchione-A and yakuchione-B

Shi, Xiang; et al, Synthetic Communications, 2022, 52(4), 513-520

合成路线：3 步

2911627-91-1

87657-77-0

反应条件：

1.1 Reagents: Tetrabutylammonium fluoride Solvents: Tetrahydrofuran ; 0.5 h, rt
1.2 Reagents: Hydrochloric acid Solvents: Water ; pH 1
2.1 Reagents: Magnesium Catalysts: Iodine Solvents: Tetrahydrofuran ; 40 °C; 1 h, 40 °C; 40 °C → 0 °C
2.2 0 °C; 3 h, 0 °C → rt
3.1 Reagents: Sodium borohydride Solvents: Methanol ; rt

参考文献：

Concise and efficient total synthesis of oxyphyllacinol, yakuchione-A and yakuchione-B

Shi, Xiang; et al, Synthetic Communications, 2022, 52(4), 513-520

合成路线：3 步

335594-16-6

87657-77-0

反应条件：

1.1 Reagents: Tetrabutylammonium fluoride Solvents: Tetrahydrofuran ; 10 min, rt
2.1 Reagents: Carbon monoxide , Selenium ; 30 atm, 50 - 100 °C
3.1 Reagents: Sodium borohydride Solvents: Methanol ; rt

参考文献：

Concise and efficient total synthesis of oxyphyllacinol, yakuchione-A and yakuchione-B

Shi, Xiang; et al, Synthetic Communications, 2022, 52(4), 513-520

合成路线：3 步

3360-41-6

87657-77-0

反应条件：

1.1 Reagents: Phosphorus tribromide Solvents: Dichloromethane ; 0 °C; 0 °C → rt; 2 h, rt
2.1 Reagents: Magnesium Catalysts: Iodine Solvents: Tetrahydrofuran ; 40 °C; 1 h, 40 °C; 40 °C → 0 °C
2.2 0 °C; 3 h, 0 °C → rt
3.1 Reagents: Sodium borohydride Solvents: Methanol ; rt

参考文献：

Concise and efficient total synthesis of oxyphyllacinol, yakuchione-A and yakuchione-B

Shi, Xiang; et al, Synthetic Communications, 2022, 52(4), 513-520

合成路线：4 步

20371-41-9

506-82-1

87657-77-0

反应条件：

1.1 -
2.1 -
3.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol
4.1 Reagents: Sodium borohydride Solvents: Methanol ; rt

参考文献：

Concise and efficient total synthesis of oxyphyllacinol, yakuchione-A and yakuchione-B

Shi, Xiang; et al, Synthetic Communications, 2022, 52(4), 513-520

合成路线：4 步

2695490-50-5

87657-77-0

反应条件：

1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol ; overnight, rt
2.1 Reagents: Tetrabutylammonium fluoride Solvents: Tetrahydrofuran ; 0.5 h, rt
2.2 Reagents: Hydrochloric acid Solvents: Water ; pH 1
3.1 Reagents: Magnesium Catalysts: Iodine Solvents: Tetrahydrofuran ; 40 °C; 1 h, 40 °C; 40 °C → 0 °C
3.2 0 °C; 3 h, 0 °C → rt
4.1 Reagents: Sodium borohydride Solvents: Methanol ; rt

参考文献：

Concise and efficient total synthesis of oxyphyllacinol, yakuchione-A and yakuchione-B

Shi, Xiang; et al, Synthetic Communications, 2022, 52(4), 513-520

合成路线：4 步

335594-14-4

87657-77-0

反应条件：

1.1 Reagents: Manganese oxide (Mn3O4) Solvents: Pentane ; 2 h, reflux
2.1 Reagents: Tetrabutylammonium fluoride Solvents: Tetrahydrofuran ; 10 min, rt
3.1 Reagents: Carbon monoxide , Selenium ; 30 atm, 50 - 100 °C
4.1 Reagents: Sodium borohydride Solvents: Methanol ; rt

参考文献：

Concise and efficient total synthesis of oxyphyllacinol, yakuchione-A and yakuchione-B

Shi, Xiang; et al, Synthetic Communications, 2022, 52(4), 513-520

合成路线：5 步

124931-12-0

69404-94-0

87657-77-0

反应条件：

1.1 Reagents: Potassium tert-butoxide Solvents: Tetrahydrofuran ; 0 °C; 1 h, 0 °C
1.2 Solvents: Tetrahydrofuran ; 0 °C; 0 °C → rt; 12 h, rt
2.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol ; overnight, rt
3.1 Reagents: Tetrabutylammonium fluoride Solvents: Tetrahydrofuran ; 0.5 h, rt
3.2 Reagents: Hydrochloric acid Solvents: Water ; pH 1
4.1 Reagents: Magnesium Catalysts: Iodine Solvents: Tetrahydrofuran ; 40 °C; 1 h, 40 °C; 40 °C → 0 °C
4.2 0 °C; 3 h, 0 °C → rt
5.1 Reagents: Sodium borohydride Solvents: Methanol ; rt

参考文献：

Concise and efficient total synthesis of oxyphyllacinol, yakuchione-A and yakuchione-B

Shi, Xiang; et al, Synthetic Communications, 2022, 52(4), 513-520

合成路线：5 步

2270-20-4

87657-77-0

反应条件：

1.1 Reagents: Thionyl chloride
2.1 -
3.1 -
4.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol
5.1 Reagents: Sodium borohydride Solvents: Methanol ; rt

参考文献：

Concise and efficient total synthesis of oxyphyllacinol, yakuchione-A and yakuchione-B

Shi, Xiang; et al, Synthetic Communications, 2022, 52(4), 513-520

合成路线：5 步

290820-47-2

27152-04-1

87657-77-0

反应条件：

1.1 Solvents: Tetrahydrofuran ; 20 min, -78 °C
2.1 Reagents: Manganese oxide (Mn3O4) Solvents: Pentane ; 2 h, reflux
3.1 Reagents: Tetrabutylammonium fluoride Solvents: Tetrahydrofuran ; 10 min, rt
4.1 Reagents: Carbon monoxide , Selenium ; 30 atm, 50 - 100 °C
5.1 Reagents: Sodium borohydride Solvents: Methanol ; rt

参考文献：

Concise and efficient total synthesis of oxyphyllacinol, yakuchione-A and yakuchione-B

Shi, Xiang; et al, Synthetic Communications, 2022, 52(4), 513-520

合成路线：6 步

18162-48-6

121-33-5

87657-77-0

反应条件：

1.1 Reagents: Imidazole Solvents: Dimethylformamide ; rt; 10 h, rt
2.1 Reagents: Potassium tert-butoxide Solvents: Tetrahydrofuran ; 0 °C; 1 h, 0 °C
2.2 Solvents: Tetrahydrofuran ; 0 °C; 0 °C → rt; 12 h, rt
3.1 Reagents: Tetrabutylammonium fluoride Solvents: Tetrahydrofuran ; 0.5 h, rt
3.2 Reagents: Hydrochloric acid Solvents: Water ; pH 1
4.1 Reagents: Magnesium Catalysts: Iodine Solvents: Tetrahydrofuran ; rt
5.1 Reagents: Carbon monoxide , Selenium ; 30 atm, 50 - 100 °C
6.1 Reagents: Sodium borohydride Solvents: Methanol ; rt

参考文献：

Concise and efficient total synthesis of oxyphyllacinol, yakuchione-A and yakuchione-B

Shi, Xiang; et al, Synthetic Communications, 2022, 52(4), 513-520

合成路线：6 步

67442-07-3

122-52-1

87657-77-0

反应条件：

1.1 rt; 12 h, 100 °C
2.1 Reagents: Potassium tert-butoxide Solvents: Tetrahydrofuran ; 0 °C; 1 h, 0 °C
2.2 Solvents: Tetrahydrofuran ; 0 °C; 0 °C → rt; 12 h, rt
3.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol ; overnight, rt
4.1 Reagents: Tetrabutylammonium fluoride Solvents: Tetrahydrofuran ; 0.5 h, rt
4.2 Reagents: Hydrochloric acid Solvents: Water ; pH 1
5.1 Reagents: Magnesium Catalysts: Iodine Solvents: Tetrahydrofuran ; 40 °C; 1 h, 40 °C; 40 °C → 0 °C
5.2 0 °C; 3 h, 0 °C → rt
6.1 Reagents: Sodium borohydride Solvents: Methanol ; rt

参考文献：

Concise and efficient total synthesis of oxyphyllacinol, yakuchione-A and yakuchione-B

Shi, Xiang; et al, Synthetic Communications, 2022, 52(4), 513-520

合成路线：6 步

69739-34-0

458-36-6

87657-77-0

反应条件：

1.1 Reagents: 2,6-Lutidine Solvents: Dichloromethane ; 30 min, 0 °C
2.1 Solvents: Tetrahydrofuran ; 20 min, -78 °C
3.1 Reagents: Manganese oxide (Mn3O4) Solvents: Pentane ; 2 h, reflux
4.1 Reagents: Tetrabutylammonium fluoride Solvents: Tetrahydrofuran ; 10 min, rt
5.1 Reagents: Carbon monoxide , Selenium ; 30 atm, 50 - 100 °C
6.1 Reagents: Sodium borohydride Solvents: Methanol ; rt

参考文献：

Concise and efficient total synthesis of oxyphyllacinol, yakuchione-A and yakuchione-B

Shi, Xiang; et al, Synthetic Communications, 2022, 52(4), 513-520

合成路线：7 步

6638-79-5

79-04-9

87657-77-0

反应条件：

1.1 Reagents: Potassium carbonate Solvents: Water ; 5 °C; 1 h, 5 °C
1.2 Solvents: Dichloromethane ; 5 °C; 1 h, 5 °C; 5 °C → rt; 12 h, rt
2.1 rt; 12 h, 100 °C
3.1 Reagents: Potassium tert-butoxide Solvents: Tetrahydrofuran ; 0 °C; 1 h, 0 °C
3.2 Solvents: Tetrahydrofuran ; 0 °C; 0 °C → rt; 12 h, rt
4.1 Reagents: Tetrabutylammonium fluoride Solvents: Tetrahydrofuran ; 0.5 h, rt
4.2 Reagents: Hydrochloric acid Solvents: Water ; pH 1
5.1 Reagents: Magnesium Catalysts: Iodine Solvents: Tetrahydrofuran ; rt
6.1 Reagents: Carbon monoxide , Selenium ; 30 atm, 50 - 100 °C
7.1 Reagents: Sodium borohydride Solvents: Methanol ; rt

参考文献：

Concise and efficient total synthesis of oxyphyllacinol, yakuchione-A and yakuchione-B

Shi, Xiang; et al, Synthetic Communications, 2022, 52(4), 513-520