2-Methyl-2-propanyl [(4R,6S)-6-{(E)-2-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]vinyl}-2,2-dimethyl-1,3-dioxan-4-yl]acetate（CAS号：147489-06-3）

6-[[(1E)-2-环丙基-4-(4-氟苯基)-3-喹啉基]-乙烯基]-2,2-二甲基-1,3-二氧六环-4-乙酸叔丁酯

基本信息

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CAS号

147489-06-3

分子式

C32H36FNO4

分子量

517.64 g/mol

化学分类

基础化工原料有机化学品羧酸类

基础化工原料有机化学品酯类

基础化工原料有机化学品醚类

基础化工原料有机化学品杂环化合物

医药化工医药中间体杂环中间体

精细化工产品染料和颜料有机染料

精细化工产品表面活性剂阴离子表面活性剂

精细化工产品专用化学品紫外线稳定剂

农用化学品农药除草剂

实验室化学品科研化学品生化试剂

基本物理性质

熔点

105-116°C

沸点

604.6°C at 760 mmHg

比旋光度

13.5° (c=1, CHCl3)

SMILES

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CC1(OC(CC(O1)C=CC2=C(C3=CC=CC=C3N=C2C4CC4)C5=CC=C(C=C5)F)CC(=O)OC(C)(C)C)C

InChI

InChI=1S/C32H36FNO4/c1-31(2,3)38-28(35)19-24-18-23(36-32(4,5)37-24)16-17-26-29(20-12-14-22(33)15-13-20)25-8-6-7-9-27(25)34-30(26)21-10-11-21/h6-9,12-17,21,23-24H,10-11,18-19H2,1-5H3/b17-16+/t23-,24-/m1/s1

InChIKey

GTJPCLUSFUIHTP-KAAYJFPCSA-N

LogP

7.573500000000008

拓扑极性表面积

57.650000000000006 Å²

氢键供体/受体

0 / 5

复杂度

841

安全信息

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危险说明

H302 吞咽有害
急性毒性-经口

H315 造成皮肤刺激
皮肤腐蚀/刺激

H319 造成严重眼刺激
严重眼损伤/眼刺激

H335 可能造成呼吸道刺激
特定目标器官毒性-单次接触；呼吸道刺激

同义词与引用数据

英文

MFCD12911897
t-Butyl (3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-isopropylidenedioxy-6-heptenoate
t-Butyl(3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-isopropylidenedioxy-6-heptenoate
(3R,5S,6E)-7-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolyl]-2,2-Dimethyl-1,3-dioxane-6-heptenoic acid 1,1-dimethylethyl ester
1,3-Dioxane-4-acetic acid, 6-[(1e)-2-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]ethenyl]-2,2-dimethyl-, 1,1-dimethylethyl esteR, (4R,6S)-
SCHEMBL31563
tert-butyl 2-[(4R,6S)-6-[(E)-2-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]ethenyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate
CS-0162282
J-008358
C72808
t-Butyl (3R,5S)-7-[2-Cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-isopropylidenedioxy-6-heptenoa
tert-Butyl 2-((4R,6S)-6-((E)-2-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)vinyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate
AS-19279
147489-06-3
(4R,6S)-6-[(1E)-2-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]ethenyl]-2,2-dimethyl-1,3-dioxane-4-acetic acid tert-butyl ester
AKOS015896430
AMY4158
(4R,6S)-6-[(1E)-2-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]ethenyl]-2,2-dimethyl-1,3-dio...
(4R,6S)-6-[(1E)-2-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]ethenyl]-2,2-dimethyl-1,3-dioxane-4
1,3-Dioxane-4-acetic acid, 6-[(1E)-2-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]ethenyl]-2,2-dimethyl-, 1,1-dimethylethyl ester, (4R,6S)-
Pitavastatin intermediate
Pitavstatin PB4
t-Butyl (3R,5S)
Pitavastatin Calcium Impurity F
5-isopropylidenedioxy-6-heptenoate
quinolin-3-yl]-3,5-isopropylidenedioxy-6-heptenoate
5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3
t-Butyl (3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-isopropylidenedioxy-6-he
(3R,5S,E)-tert-butyl7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-3,5-dihydroxyhept-6-enoate
t-Butyl (3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-isopropylidenedioxy-6-hepte
tert-butyl 2-((4R,6S)-6-((E)-2-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)vinyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate