2-[4-(1-Oxo-1,3-dihydro-2H-isoindol-2-yl)phenyl]butanoic acid

Basic Information

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CAS Number

63610-08-2

Molecular Formula

C18H17NO3

Molecular Weight

295.34 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

Basic Physical Properties

Melting Point

182-188°C

Boiling Point

518.1 °C at 760 mmHg

Density

1.275

Flash Point

267.1 °C

Refractive Index

1.629

SMILES

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CCC(C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=O)C(=O)O

InChI

InChI=1S/C18H17NO3/c1-2-15(18(21)22)12-7-9-14(10-8-12)19-11-13-5-3-4-6-16(13)17(19)20/h3-10,15H,2,11H2,1H3,(H,21,22)

InChIKey

AYDXAULLCROVIT-UHFFFAOYSA-N

LogP

3.425200000000001

Topological Polar Surface Area

57.61 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

428

Safety Information

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Hazard Statement

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

HY-18763
(+/-)-2-(P-(1-OXO-2-ISOINDOLINYL)PHENYL)BUTYRIC ACID
INDOBUFEN [MART.]
AKOS015917718
s5019
1-OXO-2-(P-((.ALPHA.-ETHYL)CARBOXYMETHYL)PHENYL)ISOINDOLINE
Indobufene [INN-French]
Indobufene
2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]butanoic acid
UNII-6T9949G4LZ
KS-5220
J-521529
4-(1,3-Dihydro-1-oxo-(2H)-isoindol-2-yl)-alpha-ethylbenzeneacetic acid
Indobufen (INN)
SCHEMBL140517
Q3798322
Indobufen [INN]
Enamine_001568
Indobufen
D70894
2-(4-(1-CARBOXYPROPYL)PHENYL)-1-ISOINDOLINONE
DTXCID8031578
A851741
Ibustrin
(2S)-2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]butanoic acid
AMY33419
DB12545
CCG-267421
CS-0014291
Benzeneacetic acid, 4-(1,3-dihydro-1-oxo-2H-isoindol-2-yl)-.alpha.-ethyl-
2-(4-(1-Oxo-2-isoindolinyl)phenyl)butyric acid

MDL Number

MFCD00572250

Customs Code

2942000000

FAQ

What is 2-[4-(1-Oxo-1,3-dihydro-2H-isoindol-2-yl)phenyl]butanoic acid (CAS: 63610-08-2)?

2-[4-(1-Oxo-1,3-dihydro-2H-isoindol-2-yl)phenyl]butanoic acid (CAS: 63610-08-2) is a chemical compound characterized by a butanoic acid backbone with a substituted phenyl ring containing an isoindole group. It is a white to off-white solid with moderate solubility in polar solvents and is commonly used in organic synthesis. The compound exhibits specific chemical reactivity due to its functional groups and is often studied for its biological activity.

What are the main uses of 2-[4-(1-Oxo-1,3-dihydro-2H-isoindol-2-yl)phenyl]butanoic acid (CAS: 63610-08-2)?

This compound is primarily used in pharmaceutical research as a potential lead molecule for drug development. It may also find applications in organic chemistry as a building block for synthesizing more complex molecules. Due to its structural features, it is of interest in the development of compounds with anti-inflammatory or antitumor properties. Additionally, it serves as a useful intermediate in various industrial and research settings.

Is 2-[4-(1-Oxo-1,3-dihydro-2H-isoindol-2-yl)phenyl]butanoic acid (CAS: 63610-08-2) safe?

The safety of 2-[4-(1-Oxo-1,3-dihydro-2H-isoindol-2-yl)phenyl]butanoic acid (CAS: 63610-08-2) depends on its application and exposure conditions. It is generally considered safe when handled properly in controlled environments. However, standard safety precautions such as wearing gloves, goggles, and a lab coat are recommended. It is important to follow established safety guidelines and regulatory standards to ensure safe handling and use.

How should 2-[4-(1-Oxo-1,3-dihydro-2H-isoindol-2-yl)phenyl]butanoic acid (CAS: 63610-08-2) be stored?

To maintain stability and safety, 2-[4-(1-Oxo-1,3-dihydro-2H-isoindol-2-yl)phenyl]butanoic acid (CAS: 63610-08-2) should be stored in a cool, dry, and dark place. It is best kept in a sealed container away from moisture and air to prevent degradation. Storage at temperatures below 25°C is recommended, and it should be protected from light to maintain its chemical integrity.