Ethyl (E)-3,5-dihydroxy-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-hept-6-enoate

Basic Information

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CAS Number

172336-32-2

Molecular Formula

C27H28FNO4

Molecular Weight

449.5 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

SMILES

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CCOC(=O)CC(CC(C=CC1=C(C2=CC=CC=C2N=C1C3CC3)C4=CC=C(C=C4)F)O)O

InChI

InChI=1S/C27H28FNO4/c1-2-33-25(32)16-21(31)15-20(30)13-14-23-26(17-9-11-19(28)12-10-17)22-5-3-4-6-24(22)29-27(23)18-7-8-18/h3-6,9-14,18,20-21,30-31H,2,7-8,15-16H2,1H3/b14-13+

InChIKey

MAUQAXOHCVNUMX-BUHFOSPRSA-N

LogP

4.99660

Complexity

661

Synonyms & References

English

A808583
Ethyl (E)-3,5-dihydroxy-7-[2-cyclopropyl-4-(4-flurophenyl)-3-quinolinyl]-hept-6-enoate
SCHEMBL1582433
(E)-Ethyl 7-(2-cyclopropyl-4-(4-fluorophenyl)-quinolin-3-yl)-3,5-dihydroxyhept-6-enoate
(E)-Ethyl7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-3,5-dihydroxyhept-6-enoate
BCP10765
AC-2061
AS-84116
6-Heptenoic acid,7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-,ethyl ester,[3R,5(R*,S*)]-
ethyl (E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoate
147008-20-6
SCHEMBL1582437
D96103
(E)-Ethyl 7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-3,5-dihydroxyhept-6-enoate
Methyl 7-oxo-3,3a,4,5-tetrahydro-7H-pyrazolo[1,5-a][5,1]benzoxazocine-2-carboxylate
AKOS015900453
172336-32-2
172336-33-3
6-Heptenoic acid,7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-, ethylester, (3R,5S)-
Ethyl (E)-3,5-dihydroxy-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-hept-6-enoate
ethyl (E)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-3,5-dihydroxyhept-6-enoate
(3R,5S)-7-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-6-heptenoic acid ethyl ester
6-Heptenoic acid, 7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-, ethyl ester, (3R,5S)-
Ethy(E)-3,5-dihydroxy-7-[2-cycloproyl-4-(4-fluorophenyl)-3-quinolinyl]-hept-6-enoate
ethyl (6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoate
Ethyl (E)-3,5-dihydroxy-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-hept-6-enoater
(3R,5S)-Ethyl 7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-3,5-dihydroxyhept-6-enoate
(3R,5S,6E)-7-[2-Cyclopropyl-4-(4-fluorophenyl) quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid ethyl ester

MDL Number

MFCD11041030

FAQ

What are the physical and chemical properties of Ethyl (E)-3,5-dihydroxy-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-hept-6-enoate (CAS: 172336-32-2)?

Ethyl (E)-3,5-dihydroxy-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-hept-6-enoate is a crystalline solid with a molecular weight of approximately 528.4 g/mol. It has a low water solubility and is moderately soluble in organic solvents. The compound exhibits reactivity towards nucleophiles, particularly under basic conditions. It is stable under normal atmospheric conditions but should be stored in a dry environment.

How is Ethyl (E)-3,5-dihydroxy-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-hept-6-enoate (CAS: 172336-32-2) typically synthesized?

Ethyl (E)-3,5-dihydroxy-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-hept-6-enoate is synthesized through a multi-step process involving condensation reactions, alkylation, and ring formation. Commonly used reagents include 4-fluoroaniline, cyclopropyl bromide, and ethyl malonate. The yield is typically around 70%, and the selectivity is high for the desired product.

What industries use Ethyl (E)-3,5-dihydroxy-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-hept-6-enoate (CAS: 172336-32-2)?

Ethyl (E)-3,5-dihydroxy-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-hept-6-enoate is primarily used in the pharmaceutical industry for the development of medicinal compounds. It may also find applications in the polymer and sensor industries due to its unique chemical structure and reactivity.

What precautions should be taken when handling Ethyl (E)-3,5-dihydroxy-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-hept-6-enoate (CAS: 172336-32-2)?

When handling Ethyl (E)-3,5-dihydroxy-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-hept-6-enoate, it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a fume hood to avoid inhalation and keep the environment well-ventilated. Follow standard safety protocols as outlined in the Safety Data Sheet (SDS) for proper spill handling and disposal.

Related Compounds

N-[(3S)-1-(Dimethylcarbamoyl)-3-pyrrolidinyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

CAS Number: 1013920-15-4

Molecular Formula: C23H26FN5O3

7-Methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid structure

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Compound Q&A

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Compound Q&A

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Compound Q&A

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Compound Q&A

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Ethyl (E)-3,5-dihydroxy-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-hept-6-enoate | CAS No. 172336-32-2

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Chemical Properties

SMILES

InChI

InChIKey

LogP

Complexity

Synonyms & References

English

MDL Number

FAQ

What are the physical and chemical properties of Ethyl (E)-3,5-dihydroxy-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-hept-6-enoate (CAS: 172336-32-2)?

How is Ethyl (E)-3,5-dihydroxy-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-hept-6-enoate (CAS: 172336-32-2) typically synthesized?

What industries use Ethyl (E)-3,5-dihydroxy-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-hept-6-enoate (CAS: 172336-32-2)?

What precautions should be taken when handling Ethyl (E)-3,5-dihydroxy-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-hept-6-enoate (CAS: 172336-32-2)?

Related Compounds

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