CAS: 866551-95-3; Ethyl 2-(((3Ar,4S,6R,6As)-6-(((Benzyloxy)Carbonyl)Amino)-2,2-Dimethyltetrahydro-3Ah-Cyclopenta[d][1,3]Dioxol-4-yl)Oxy)Acetate

英文名称Ethyl 2-(((3Ar,4S,6R,6As)-6-(((Benzyloxy)Carbonyl)Amino)-2,2-Dimethyltetrahydro-3Ah-Cyclopenta[d][1,3]Dioxol-4-yl)Oxy)Acetate
中文名称2-(((3aR,4S,6R,6aS)-6-((((苄氧基)羰基)氨基)-2,2-二甲基四氢-3HH-环戊二烯并[d] [1,3]二氧杂环戊烯-4-基)氧基)乙酸甲酯
IUPAC名称ethyl 2-(((3aR,4S,6R,6aS)-6-(((benzyloxy)carbonyl)amino)-2,2-dimethyltetrahydro-4H-cyclopenta[d][1,3]dioxol-4-yl)oxy)acetate
其它别名2 - (((3Ar,4S,6R,6As)-6 - ((((苄氧基)羰基)氨基)-2,2-二甲基四氢; Acetic Acid, [[(3Ar,4S,6R,6As)-Tetrahydro-2,2-Dimethyl-6-[[(Phenylmethoxy)Carbonyl]Amino]-4H-Cyclopenta-1,3-Dioxol-4-Yl]Oxy]-, E
CAS编号866551-95-3
MFCD编号:MFCD28167874
分子式:C20H27NO7
分子量:393.43
产品CID: 1869670
产品分类有机原料→分子砌块→芳环类化合物→苯类化合物

相似结构搜索
InChIKey: LMOJGNUNTMQCBQ-MXSMSXNCSA-N
InChI=1S/C20H27NO7/c1-4-24-16(22)12-25-15-10-14(17-18(15)28-20(2,3)27-17)21-19(23)26-11-13-8-6-5-7-9-13/h5-9,14-15,17-18H,4,10-12H2,1-3H3,(H…
计算化学: 氢键受体数7.0氢键供体数1可旋转键数7

物理性质

沸点540.7±50.0 °C at 760 mmHg
密度1.24±0.1 g/cm3(预测)
pKa:11.26±0.60(预测)
PSA:92.32
LogP:2.1535
溶解性Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
外观形态无色油状物
储存条件-20°C 冰箱, 在惰性气其中
产品应用该化合物用于对TICAGRELOR(T437700),一种板板块聚合抑制剂的合成.

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

上下游产品

[3aS-(3aα,4α,6α,6aα)]-(tetrahydro-6-hydroxy-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl)carbamic acid phenylmethyl ester ethyl bromoacetate (3aR,4S,6R,6aS)-6-amino-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol N-(((4S,5R)-2,2-dimethyl-5-vinyl-1 ,3-dioxolan-4-yl)methylene)-1-phenylmethanamine oxide 2S,3R,5S)-3-[(5-amino-6-chloro-2-(propylthio)pyrimidin-4-yl)amino]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol(1S 2S,3R,5S)-3-[(5-amino-6-chloro-2-(propylthio)pyrimidin-4-yl)amino]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol