4-(3-Oxo-4-morpholinyl)benzoic acid

Basic Information

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CAS Number

720720-60-5

Molecular Formula

C11H11NO4

Molecular Weight

221.21 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

Basic Physical Properties

SMILES

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C1COCC(=O)N1C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C11H11NO4/c13-10-7-16-6-5-12(10)9-3-1-8(2-4-9)11(14)15/h1-4H,5-7H2,(H,14,15)

InChIKey

HUZZDKHRFFOLQU-UHFFFAOYSA-N

LogP

0.748

Topological Polar Surface Area

66.84 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

284

Synonyms & References

English

CS-0157477
4-(3-Oxomorpholino)benzoic acid
KS-8024
HUZZDKHRFFOLQU-UHFFFAOYSA-N
SCHEMBL209054
DTXSID20630464
4-(3-oxomorpholin-4-yl)benzoic acid
4-(3-Oxomorpholino)benzoicacid
EN300-1085940
720720-60-5
4-(3-Oxo-morpholin-4-yl)-benzoic acid
AKOS016000599
4-(morpholin-3-on-4-yl)-benzoic acid
D82564
AM807521
MFCD13176569
VDB72060

MDL Number

MFCD13176569

FAQ

What are the physical and chemical properties of 4-(3-Oxo-4-morpholinyl)benzoic acid (CAS: 720720-60-5)?

4-(3-Oxo-4-morpholinyl)benzoic acid (CAS: 720720-60-5) is a crystalline solid with a molecular weight of approximately 237.3 g/mol. It has a limited water solubility and is slightly soluble in common organic solvents like ethanol and acetone. The compound is known for its low reactivity under typical laboratory conditions but can undergo ring-opening reactions under strong basic conditions. It is stable under neutral and acidic conditions.

How is 4-(3-Oxo-4-morpholinyl)benzoic acid (CAS: 720720-60-5) typically synthesized?

4-(3-Oxo-4-morpholinyl)benzoic acid is typically synthesized through the condensation of 4-morpholinobenzoic acid with acetic anhydride. This reaction is carried out under mild heating conditions, and the product is isolated by recrystallization from water. The yield is generally around 85%, and the reaction is catalyzed by a small amount of p-toluenesulfonic acid (PTSA).

What industries use 4-(3-Oxo-4-morpholinyl)benzoic acid (CAS: 720720-60-5)?

4-(3-Oxo-4-morpholinyl)benzoic acid (CAS: 720720-60-5) is used in the pharmaceutical industry for the synthesis of drug intermediates and in the polymer industry as a monomer. It also finds applications in the sensor technology and semiconductor sectors due to its unique chemical properties.

What precautions should be taken when handling 4-(3-Oxo-4-morpholinyl)benzoic acid (CAS: 720720-60-5)?

When handling 4-(3-Oxo-4-morpholinyl)benzoic acid (CAS: 720720-60-5), it is important to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. The compound should be stored in a well-ventilated area away from direct sunlight and heat sources. In case of a spill, use appropriate containment measures and consult the Safety Data Sheet (SDS) for detailed instructions on cleanup procedures.