1-(tert-Butyl) 3-ethyl 4-(((trifluoromethyl)sulfonyl)oxy)-5,6-dihydropyridine-1,3(2H)-dicarboxylate

HCID 22228409

基本情報

標準SMILES
CCOC(=O)C1=C(OS(=O)(=O)C(F)(F)F)CCN(C(=O)OC(C)(C)C)C1
InChIKey
QBSFHOMPPMKXAV-UHFFFAOYSA-N
分子式
C14H20F3NO7S
平均分子量
403.37 g/mol

名称と識別子

優先名称
1-(tert-Butyl) 3-ethyl 4-(((trifluoromethyl)sulfonyl)oxy)-5,6-dihydropyridine-1,3(2H)-dicarboxylate
IUPAC
1-O-tert-butyl 5-O-ethyl 4-(trifluoromethylsulfonyloxy)-3,6-dihydro-2H-pyridine-1,5-dicarboxylate

名称と別名

176525-98-71-(tert-Butyl) 3-ethyl 4-(((trifluoromethyl)sulfonyl)oxy)-5,6-dihydropyridine-1,3(2H)-dicarboxylateMFCD209220481,3(2H)-Pyridinedicarboxylic acid, 5,6-dihydro-4-[[(trifluoromethyl)sulfonyl]oxy]-, 1-(1,1-dimethylethyl) 3-ethyl ester1-O-tert-butyl 5-O-ethyl 4-(trifluoromethylsulfonyloxy)-3,6-dihydro-2H-pyridine-1,5-dicarboxylate1-tert-butyl 3-ethyl 4-(((trifluoromethyl)sulfonyl)oxy)-5,6-dihydropyridine-1,3(2H)-dicarboxylate4-Trifluoromethanesulfonyloxy-5,6-dihydro-2H-pyridine-1,3-dicarboxylic Acid 1-tert-butyl Ester 3-ethyl Ester1-tert-butyl 3-ethyl 4-{[(trifluoromethyl)sulfonyl]oxy}-5,6-dihydropyridine-1,3(2H)-dicarboxylateSCHEMBL556981C14H20F3NO7S1-tert-butyl 3-ethyl 4-(trifluoromethanesulfonyloxy)-1,2,5,6-tetrahydropyridine-1,3-dicarboxylateCS-0100171
名称をさらに表示
G81170A1-017251-(1,1-dimethylethyl) 3-ethyl 4-{[(trifluoromethyl)sulfonyl]oxy}-5,6-dihydro-1,3(2H)-pyridinedicarboxylate1-tert-butyl 3-ethyl 4-{[(trifluoromethyl)-sulfonyl]oxy}-5,6-dihydropyridine-1,3(2H)-dicarboxylate1-tert-Butyl 3-ethyl 4-{[(trifluoromethyl)sulfonyl]oxy}-5,6-dihydropyridin-1,3(2H)-dicarboxylateO1-tert-butyl O5-ethyl 4-(trifluoromethylsulfonyloxy)-3,6-dihydro-2H-pyridine-1,5-dicarboxylate

データベース識別子

PubChem CID
22228409
Nikkaji
J3.509.858E

物性

構造計算による物性

XLogP
2.2
極性表面積
108 Ų
水素結合供与体数
0
水素結合受容体数
10
回転可能結合数
7
重原子数
26

関連反応

8 件

化合物ノート

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