CAS: 72500-11-9; Methyl Vanillate Glucoside

英文名称Methyl Vanillate Glucoside
中文名称香草酸甲酯葡萄糖苷
IUPAC名称methyl 3-methoxy-4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)benzoate
其它别名Methyl Vanillate Glucoside; 4-(Beta-D-Glucopyranosyloxy)-3-Methoxybenzoic Acid Methyl Ester; Benzoic Acid, 4-(β-D-Glucopyranosyloxy)-3-Methoxy-, Methyl Ester
CAS编号72500-11-9
MFCD编号:MFCD26406141
分子式:C15H20O9分子量:344.32
产品CID: 1710008
产品分类有机原料→分子砌块→手性化合物→手性砌块

相似结构搜索
InChIKey: INSAQPSCUXYJAY-ZHZXCYKASA-N
InChI=1S/C15H20O9/c1-21-9-5-7(14(20)22-2)3-4-8(9)23-15-13(19)12(18)11(17)10(6-16)24-15/h3-5,10-13,15-19H,6H2,1-2H3/t10-,11-,12+,13-,15-/m1/s1
计算化学: 氢键受体数9.0氢键供体数4可旋转键数5

相似化合物

118-34-3 84274-52-2 91984-84-8

物理性质

沸点568.4±50.0 °C at 760 mmHg
闪点209.2±23.6 °C
密度1.444±0.06 g/cm3 (20 ºC 760 Torr),
PSA:134.91
LogP:-1.3395
溶解性Soluble In Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,Etc.
外观形态白色至类白色粉末
储存条件2-8°C, 密封存储, 防潮

MSDS等安全信息

GHS符号GHS07
警示词Warning
危险描述H302-H315-H319-H335
防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
安全声明H303+H313+H333

上下游产品

methyl 3-methoxy-4-{[(2S,3R,4S,5R,6R)-3,4,5-tris(acetoxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}benzoate 2,3,4,6-tetra-O-acetyl-D-glucopyranosyl 1-(N-phenyl)-2,2,2-trifluoroacetimidate 4-hydroxy-3-methoxybenzoic acid methyl ester α-D-glucopyranose peracetylate methyl 3-methoxy-4-(2',3',4'-tri-O-benzyl-β-D-glucopyranosyloxy)benzoate allyl 3-methoxy-4-(2',3',4'-tri-O-benzyl-β-D-glucopyranosyloxy)benzoate methyl 3-methoxy-4-(6'-O-trityl-β-D-glucopyranosyloxy)benzoate

合成工艺路线路线简述

合成目标产物 Methyl Vanillate Glucoside 主要起始原料 Benzoic Acid, 3-Methoxy-4-[(2,3,4,6-Tetra-O-Acetyl-β-D-Glucopyranosyl)Oxy]-, Methyl Ester
(文献来源)合成步骤主要原料 Benzoic Acid, 3-Methoxy-4-[(2,3,4,6-Tetra-O-Acetyl-β-D-Glucopyranosyl)Oxy]-, Methyl Ester