3-(4,5-Diphenyl-1,3-oxazol-2-yl)propanoic acid

Basic Information

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CAS Number

21256-18-8

Molecular Formula

C18H15NO3

Molecular Weight

293.32 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

Physical State

Powder

Melting Point

161.0 to 165.0 deg-C

Boiling Point

467°C at 760 mmHg

Flash Point

236.2 °C

Refractive Index

1.5100 (estimate)

SMILES

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C1=CC=C(C=C1)C2=C(OC(=N2)CCC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C18H15NO3/c20-16(21)12-11-15-19-17(13-7-3-1-4-8-13)18(22-15)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,20,21)

InChIKey

OFPXSFXSNFPTHF-UHFFFAOYSA-N

LogP

4.025800000000003

pKa

4.3(at 25℃)

Topological Polar Surface Area

63.33 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

361

Safety Information

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GHS Hazard Pictograms

H303

Hazard Statement

H303 May be harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

NCGC00094249-01
NCGC00014711-01
NCGC00014711-02
SW197319-4
MFCD00215977
Oxaprozin 100 microg/mL in Acetonitrile
HMS3393L15
Prestwick1_001060
Duraprost
DTXCID9025118
HSDB 7586
NCGC00014711-09
AB00514024_09
NCGC00094249-06
Voir
KS-5196
NSC-758949
C07356
.beta.-(4,5-Diphenyloxazol-2-yl)propionic acid
3-(4,5-Diphenyl-oxazol-2-yl)-propionic acid
NCGC00094249-03
Oxaprozine [INN-French]
Dayrun
COXANTO
3-(4,5-Diphenyl-2-oxazolyl)propanoic acid
OXAPROZIN [INN]
beta-(4,5-Diphenyloxazol-2-yl)propionic acid
NC00214
2-Oxazolepropanoic acid,5-diphenyl-
CCG-36508
NCGC00014711-04

MDL Number

MFCD00215977

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 3-(4,5-Diphenyl-1,3-oxazol-2-yl)propanoic acid (CAS: 21256-18-8)?

3-(4,5-Diphenyl-1,3-oxazol-2-yl)propanoic acid (CAS: 21256-18-8) is a white crystalline solid with a molecular weight of approximately 410.35 g/mol. It has a low solubility in water but is soluble in organic solvents like ethanol and acetone. The compound is moderately reactive, particularly in the presence of bases, and exhibits good stability under normal conditions.

How is 3-(4,5-Diphenyl-1,3-oxazol-2-yl)propanoic acid (CAS: 21256-18-8) typically synthesized?

3-(4,5-Diphenyl-1,3-oxazol-2-yl)propanoic acid can be synthesized by reacting 4,5-diphenyl-1,3-oxazole-2-carboxylic acid chloride with 1-propanol. The reaction typically requires the use of a suitable base like pyridine to enhance the reaction rate. The product is purified by recrystallization from ethanol, yielding a white solid with a high yield and excellent purity.

What industries use 3-(4,5-Diphenyl-1,3-oxazol-2-yl)propanoic acid (CAS: 21256-18-8)?

3-(4,5-Diphenyl-1,3-oxazol-2-yl)propanoic acid (CAS: 21256-18-8) is primarily used in the pharmaceutical industry for the synthesis of various bioactive compounds. It also finds application in the production of sensors, semiconductors, and as a precursor in the polymer industry. Its unique chemical structure makes it valuable in developing new materials and drugs.

What precautions should be taken when handling 3-(4,5-Diphenyl-1,3-oxazol-2-yl)propanoic acid (CAS: 21256-18-8)?

When handling 3-(4,5-Diphenyl-1,3-oxazol-2-yl)propanoic acid (CAS: 21256-18-8), it is important to wear personal protective equipment (PPE) such as gloves, safety goggles, and lab coats. The compound should be stored in a cool, dry place away from direct sunlight and heat sources. In case of a spill, contain the spill with absorbent materials and dispose of it according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.