(2R)-2-(4-Isobutylphenyl)propanoic acid

Basic Information

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CAS Number

51146-57-7

Molecular Formula

C13H18O2

Molecular Weight

206.28 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

54 ºC

Boiling Point

319.6°C at 760 mmHg

Refractive Index

1.5290 (estimate)

SMILES

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CC(C)Cc1ccc(cc1)[C@@H](C)C(=O)O

InChI

InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m1/s1

InChIKey

HEFNNWSXXWATRW-SNVBAGLBSA-N

LogP

3.073200000000001

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

203

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

Benzeneacetic acid, a-methyl-4-(2-methylpropyl)-, (aR)-
(R)-(-)-Ibuprofen
(R)-Ibuprofen
(R)-Ibuprofen
R-Ibuprofen
(-)-Ibuprofen
(2R)-2-(4-isobutylphenyl)propanoic acid
(2R)-2-(4-isobutylphenyl)-propanoic acid
alphaR-Sethyl-4-(2-methylpropyl)benzeneacetic acid
CHEBI:47835
R(-)-ibuprofen
R-(-)-p-Isobutylhydratropic acid
(alphaR)-alpha-Methyl-4-(2-methylpropyl)benzeneacetic acid
L-Ibuprofen
levibuprofen
(R)-2-(4-Isobutylphenyl)propanoic acid
(2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid
(R)-alpha-methyl-4-(2-methylpropyl)benzeneacetic acid
99W8H60N62
Benzeneacetic acid, alpha-methyl-4-(2-methylpropyl)-, (R)-
(-)-Ibuprophen
IZP
(r)(-) ibup
(R)-2-(4-isobutylphenyl)propanoic acid

MDL Number

MFCD00069290

FAQ

What are the physical and chemical properties of (2R)-2-(4-Isobutylphenyl)propanoic acid (CAS: 51146-57-7)?

(2R)-2-(4-Isobutylphenyl)propanoic acid has a crystalline form and a molecular weight of approximately 222.32 g/mol. It has a low solubility in water but is soluble in organic solvents like ethanol. The compound is moderately reactive, particularly towards nucleophilic substitution reactions. Its melting point is around 58-60°C.

How is (2R)-2-(4-Isobutylphenyl)propanoic acid (CAS: 51146-57-7) typically synthesized?

(2R)-2-(4-Isobutylphenyl)propanoic acid is synthesized via a multi-step process, usually involving the protection of the carboxylic acid group, followed by substitution reactions. Common methods include Wittig reactions or Grignard reagents, with high selectivity and moderate yield. Specific catalysts and reagents are chosen based on the reaction conditions and desired product purity.

What industries use (2R)-2-(4-Isobutylphenyl)propanoic acid (CAS: 51146-57-7)?

(2R)-2-(4-Isobutylphenyl)propanoic acid is used in the pharmaceutical industry for the synthesis of certain drugs, in polymer manufacturing as a functional monomer, and in the electronics industry for sensor applications. Its unique chemical properties make it suitable for various specialized applications.

What precautions should be taken when handling (2R)-2-(4-Isobutylphenyl)propanoic acid (CAS: 51146-57-7)?

When handling (2R)-2-(4-Isobutylphenyl)propanoic acid, it is essential 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. Spills should be cleaned up using appropriate methods, and the site should be decontaminated. Always refer to the Safety Data Sheet (SDS) for detailed instructions and emergency procedures.