6-(3-Chloro-2-fluorobenzyl)-1-[(2S)-1-hydroxy-3-methyl-2-butanyl]-7-methoxy-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid

Basic Information

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CAS Number

697761-98-1

Molecular Formula

C23H23ClFNO5

Molecular Weight

447.89 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

Physical State

White to Yellow Solid

Melting Point

93-96°C

SMILES

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CC(C)C(CO)N1C=C(C(=O)C2=C1C=C(C(=C2)CC3=C(C(=CC=C3)Cl)F)OC)C(=O)O

InChI

InChI=1S/C23H23ClFNO5/c1-12(2)19(11-27)26-10-16(23(29)30)22(28)15-8-14(20(31-3)9-18(15)26)7-13-5-4-6-17(24)21(13)25/h4-6,8-10,12,19,27H,7,11H2,1-3H3,(H,29,30)/t19-/m1/s1

InChIKey

JUZYLCPPVHEVSV-LJQANCHMSA-N

LogP

4.281000000000003

Topological Polar Surface Area

88.76 Å²

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

702

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

6-(3-Chloro-2-fluorobenzyl)-1-[1(S)-(hydroxymethyl)-2-methylpropyl]-7-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Vitekta
s2001
JTK 303
MLS006011136
J05AX11
Elvitegravir (GS-9137, JTK-303)
BDBM50183273
ELVITEGRAVIR COMPONENT OF VITEKTA
SW219721-1
BRD-K54472332-001-01-8
6-((3-Chloro-2-fluorophenyl)methyl)-1-((2S)-1-hydroxy-3-methylbutan-2-yl)-7-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
J-518006
6-[(3-chloro-2-fluoro-phenyl)methyl]-1-[(1S)-1-(hydroxymethyl)-2-methyl-propyl]-7-methoxy-4-oxo-quinoline-3-carboxylic acid
Vitekta (TN)
D06677
AS-16986
DB09101
CCG-269208
AB01274749_02
CHEMBL204656
NCGC00346565-04
STRIBILD COMPONENT ELVITEGRAVIR
ELVITEGRAVIR (MART.)
ELVITEGRAVIR [VANDF]
elvitegravirum
VITEKTA COMPONENT ELVITEGRAVIR
ELVITEGRAVIR [WHO-DD]
DTXSID101021650
6-(3-Chloro-2-fluorobenzyl)-1-((2S)-1-hydroxy-3-methylbutan-2-yl)-7-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
AKOS025396642

MDL Number

MFCD11846134

FAQ

What regulatory guidelines apply to 6-(3-Chloro-2-fluorobenzyl)-1-[(2S)-1-hydroxy-3-methyl-2-butanyl]-7-methoxy-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid (CAS: 697761-98-1)?

This compound falls under various regulatory guidelines such as GHS classification for hazardous chemicals, REACH regulations in the EU, and FDA/EPA requirements for pharmaceuticals and chemicals. It is important to comply with local and international regulations for safety data sheets (SDS), handling, and disposal.

Are there alternatives to 6-(3-Chloro-2-fluorobenzyl)-1-[(2S)-1-hydroxy-3-methyl-2-butanyl]-7-methoxy-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid (CAS: 697761-98-1) in synthesis?

Alternative reagents and compounds, such as 3-chloro-2-fluorobenzyl derivatives or similar quinolinecarboxylic acids, can be used as alternatives. The choice depends on the specific synthesis pathway and desired properties of the product.

What is the market or research trend for 6-(3-Chloro-2-fluorobenzyl)-1-[(2S)-1-hydroxy-3-methyl-2-butanyl]-7-methoxy-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid (CAS: 697761-98-1)?

The market for this compound is driven by its potential applications in pharmaceuticals and research. Recent trends show increasing interest in its use as an intermediate or as a novel drug candidate. Research is exploring its biological activities and therapeutic potential.

How should waste containing 6-(3-Chloro-2-fluorobenzyl)-1-[(2S)-1-hydroxy-3-methyl-2-butanyl]-7-methoxy-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid (CAS: 697761-98-1) be handled?

Waste containing this compound should be collected in appropriate containers and disposed of through professional waste disposal services. Incineration is a common method, but care must be taken to ensure compliance with local regulations. Environmental protection measures, including proper labeling and documentation, are crucial.