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

Basic Information

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CAS Number

147489-06-3

Molecular Formula

C32H36FNO4

Molecular Weight

517.64 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

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

Melting Point

105-116°C

Boiling Point

604.6°C at 760 mmHg

Specific Rotation

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

Topological Polar Surface Area

57.650000000000006 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

841

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

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

MDL Number

MFCD12911897

Customs Code

2934999090

FAQ

What regulatory guidelines apply to 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: 147489-06-3)?

The compound 2-Methyl-2-proanyl [(4R,6S)-6-{(E)-2-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]vinyl}-2,2-dimethyl-1,3-dioxan-4-yl]acetate (CAS: 147489-06-3) is subject to various regulatory guidelines, including GHS Classification for hazardous chemicals, REACH regulations for EU manufacturers, importers, and suppliers, and FDA/EPA requirements for safety and environmental impact assessments. Compliance with these guidelines is essential for proper handling, storage, and disposal.

Are there alternatives to 2-Methyl-2-proanyl [(4R,6S)-6-{(E)-2-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]vinyl}-2,2-dimethyl-1,3-dioxan-4-yl]acetate (CAS: 147489-06-3) in synthesis?

In the synthesis of 2-Methyl-2-proanyl [(4R,6S)-6-{(E)-2-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]vinyl}-2,2-dimethyl-1,3-dioxan-4-yl]acetate (CAS: 147489-06-3), alternatives such as using isomers, analogs like 2-Methyl-2-propanol, or substituting with similar reagents like 2-cyclopropyl-4-(4-fluorophenyl)-3-quinoline may be considered. These alternatives can offer similar functional groups but with different structural features, impacting the overall reaction pathway and product yield.

What is the market or research trend for 2-Methyl-2-proanyl [(4R,6S)-6-{(E)-2-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]vinyl}-2,2-dimethyl-1,3-dioxan-4-yl]acetate (CAS: 147489-06-3)?

The market for 2-Methyl-2-proanyl [(4R,6S)-6-{(E)-2-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]vinyl}-2,2-dimethyl-1,3-dioxan-4-yl]acetate (CAS: 147489-06-3) is currently driven by pharmaceutical and research applications. There is a growing trend towards exploring its potential in drug development and as a precursor in organic synthesis. Emerging research focuses on its bioactivity and synthetic routes, with ongoing studies on the compound's mechanism of action and therapeutic applications.

How should waste containing 2-Methyl-2-proanyl [(4R,6S)-6-{(E)-2-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]vinyl}-2,2-dimethyl-1,3-dioxan-4-yl]acetate (CAS: 147489-06-3) be handled?

Waste containing 2-Methyl-2-proanyl [(4R,6S)-6-{(E)-2-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]vinyl}-2,2-dimethyl-1,3-dioxan-4-yl]acetate (CAS: 147489-06-3) should be managed according to local regulations and best practices. Proper waste liquid collection and separation of waste streams are crucial. The waste may be incinerated or disposed of through professional waste disposal services. Environmental protection precautions include using appropriate personal protective equipment (PPE) and ensuring that waste is handled in a manner that minimizes environmental impact.