2,2-Dimethyl-5-[2-(2,4,5-trifluoro-phenyl)-acetyl]-[1,3]dioxane-4,6-dione

HCID 49784075

基本情報

CAS
1152439-73-0
標準SMILES
CC1(C)OC(=O)C(C(=O)Cc2cc(F)c(F)cc2F)C(=O)O1
InChIKey
QQLYZNCMELOPFL-UHFFFAOYSA-N
分子式
C14H11F3O5
平均分子量
316.23 g/mol
単同位体質量
316.05585793

名称と識別子

優先名称
2,2-Dimethyl-5-[2-(2,4,5-trifluoro-phenyl)-acetyl]-[1,3]dioxane-4,6-dione
IUPAC
2,2-dimethyl-5-[2-(2,4,5-trifluorophenyl)acetyl]-1,3-dioxane-4,6-dione
英語名
2,2-DiMethyl-5-[(2,4,5-trifluorophenyl)acetyl]-1,3-dioxane-4,6-dione
分子式
C14H11F3O5
分子量
316.23

名称と別名

1152439-73-0Sitagliptin Impurity 312,2-dimethyl-5-[2-(2,4,5-trifluoro-phenyl)-acetyl]-[1,3]dioxane-4,6-dione2,2-DIMETHYL-5-(2-(2,4,5-TRIFLUOROPHENYL)ACETYL)-1,3-DIOXANE-4,6-DIONEJF5Z8G7R4S2,2-dimethyl-5-[2-(2,4,5-trifluorophenyl)acetyl]-1,3-dioxane-4,6-dioneMFCD145256821,3-Dioxane-4,6-dione, 2,2-dimethyl-5-(2-(2,4,5-trifluorophenyl)acetyl)-1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[2-(2,4,5-trifluorophenyl)acetyl]-1,3-Dioxane-4,6-dione, 5-(1-hydroxy-2-(2,4,5-trifluorophenyl)ethylidene)-2,2-dimethyl-1,3-Dioxane-4,6-dione, 5-[1-hydroxy-2-(2,4,5-trifluorophenyl)ethylidene]-2,2-dimethyl-2,2-Dimethyl-5-((1-hydroxy-2-(2,4,5-trifluorophenyl)ethylidene)-1,3-dioxane-4,6-dione
名称をさらに表示
2,2-Dimethyl-5-[(2,4,5-trifluorophenyl)acetyl]-1,3-dioxane-4...2,2-DiMethyl-5-[(2,4,5-trifluorophenyl)acetyl]-1,3-dioxane-4,6-dione
2,2-Dimethyl-5-[[1-hydroxy-2-(2,4,5-trifluorophenyl)ethylidene]-1,3-dioxane-4,6-dioneUNII-JF5Z8G7R4SSCHEMBL411648QQLYZNCMELOPFL-UHFFFAOYSA-N2,2-Dimethyl-5-[(2,4,5-trifluorophenyl)acetyl]-1,3-dioxan-4,6-dione2,2-dimethyl-5-[2-(2,4,5-trifluorophenyl)-acetyl]-[1,3]dioxane-4,6-dione5-[2-(2,4,5-trifluorophenyl)-acetyl]-2,2-dimethyl-1,3-dioxane-4,6-dione

データベース識別子

CAS
1152439-73-0
PubChem CID
49784075
UNII
JF5Z8G7R4S

物性

構造計算による物性

XLogP
2.5
極性表面積
69.7 Ų
水素結合供与体数
0
水素結合受容体数
8
回転可能結合数
3
重原子数
22

物理化学的性質

沸点
490.2 · 490.2±45.0 °C(Predicted)
比重(密度)
1.408 · 1.408±0.06 g/cm3(Predicted)
酸解離定数(Pka)
8.4 · 8.40±0.40(Predicted)

化学と産業

サプライヤー8 社

北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
北京科迈启医药科技有限公司15910349257 15910349257 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
山东博洛达生物科技有限公司0531-68659041 · [email protected]

関連反応

8 件

化合物ノート

読み込み中…