(6E)-7-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-6-heptenoic acid

Basic Information

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CAS Number

147511-69-1

Molecular Formula

C25H24FNO4

Molecular Weight

421.47 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Boiling Point

692°C at 760 mmHg

Density

1.352

Flash Point

692°Cat760mmHg

Refractive Index

1.679

SMILES

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C1CC1C2=NC3=CC=CC=C3C(=C2C=CC(CC(CC(=O)O)O)O)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H24FNO4/c26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-18(28)13-19(29)14-23(30)31/h1-4,7-12,16,18-19,28-29H,5-6,13-14H2,(H,30,31)/b12-11+

InChIKey

VGYFMXBACGZSIL-VAWYXSNFSA-N

LogP

4.518100000000004

Topological Polar Surface Area

90.65 Å²

Hydrogen Bond Donor/Acceptor

3 / 5

Complexity

631

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

P 872441
Pitavastatin
NSC-760423
HY-B0144A
C10AA08
VGYFMXBACGZSIL-MCBHFWOFSA-N
AM84440
6-Heptenoic acid, 7-(2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl)-3,5-dihydroxy-, (3R,5S,6E)-
(e)-(3r,5s)-7-[2-cyclopropyl-4-(4-fluoro-phenyl)-quinolin-3-yl]-3,5-dihydroxy-hept-6enoic acid
(3R,5S,E)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-3,5-dihydroxyhept-6-enoic acid
DB08860
pitavastatia
(E)-(3R,5S)-7-[2-Cyclopropyl-4-(4-fluoro-phenyl)-quinolin-3-yl]-3,5-dihydroxy-hept-6-enoic acid
NSC 760423
PITAVASTATIN (MART.)
PITAVASTATIN [MI]
CAS_147511-69-1
DTXCID2028357
Pitavastatina
pitavastatinum
GTPL3035
Q412677
P-872441
6-Heptenoic acid, 7-(2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl)-3,5-dihydroxy-, (S-(R*,S*-(E)))-
Pitavastatin [INN]
HSDB 8367
NK-104
NK 104
( )-(3R,5S,6E)-7-(2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolyl)-3,5-dihydroxy-6-heptenoic acid
MLS006010096
(E,3R,5S)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-3,5-dihydroxyhept-6-enoic acid

MDL Number

MFCD04113054

Customs Code

3004909090

FAQ

What are the physical and chemical properties of (6E)-7-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-6-heptenoic acid (CAS: 147511-69-1)?

(6E)-7-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-6-heptenoic acid is a white to off-white crystalline solid with a molecular weight of approximately 429.36 g/mol. It has a pKa of about 2.5 and is sparingly soluble in water but more readily soluble in organic solvents. It is not particularly reactive under normal conditions but can undergo hydrolysis. This compound is typically stable but should be stored away from moisture and heat to prevent degradation.

How is (6E)-7-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-6-heptenoic acid (CAS: 147511-69-1) typically synthesized?

(6E)-7-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-6-heptenoic acid can be synthesized through a multi-step process involving condensation reactions, ring formation, and hydroxylation. Commonly used catalysts include transition metals like palladium or platinum. The yield is typically around 70-80%, and the selectivity is good, providing a high purity product. This synthesis should be carried out under inert atmosphere to avoid decomposition.

What industries use (6E)-7-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-6-heptenoic acid (CAS: 147511-69-1)?

(6E)-7-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-6-heptenoic acid is primarily used in the pharmaceutical industry for the development of potential therapeutic agents. It has shown promise in various biological assays and may be used as a precursor for further medicinal chemistry work. Additionally, it could have applications in polymer science and material science, particularly in the development of new materials with specific functional properties.

What precautions should be taken when handling (6E)-7-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-6-heptenoic acid (CAS: 147511-69-1)?

When handling (6E)-7-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-6-heptenoic acid, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be managed carefully, and the area should be cleaned with appropriate solvents. Refer to the Safety Data Sheet (SDS) for specific handling instructions and emergency procedures. This compound is not particularly hazardous but should be treated with care to prevent accidental exposure or contamination.