3-[3-(4-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid | CAS No. 94192-18-4

3-[3-(4-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid

Basic Information

CAS Number

94192-18-4

Molecular Formula

C12H12N2O4

Molecular Weight

248.24 g/mol

AD

Basic Physical Properties

COC1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)O

InChI

InChI=1S/C12H12N2O4/c1-17-9-4-2-8(3-5-9)12-13-10(18-14-12)6-7-11(15)16/h2-5H,6-7H2,1H3,(H,15,16)

InChIKey

WRFNXLGYERRRTO-UHFFFAOYSA-N

LogP

1.7623999999999995

Topological Polar Surface Area

85.45 Ų

Hydrogen Bond Donor/Acceptor

1 / 6

Complexity

279

Synonyms & References

English

  • 3-[3-(4-METHOXYPHENYL)-1,2,4-OXADIAZOL-5-YL]PROPANOICACID
  • MLS000521598
  • CS-0243422
  • HMS1434L13
  • LS-03989
  • SCHEMBL1567346
  • WRFNXLGYERRRTO-UHFFFAOYSA-N
  • CHEMBL1421066
  • EN300-26345
  • SMR000132006
  • HMS2542K15
  • Maybridge3_001311
  • 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
  • 3-(3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)propanoic acid
  • IDI1_012698
  • 3-(3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)propanoicacid
  • 3-[3-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-propionic acid
  • Z57674494
  • DTXSID70351056
  • F0901-0811
  • 94192-18-4
  • J-511463
  • AKOS000112010
  • FT-0750782
  • MFCD00098187
  • 1,2,4-Oxadiazole-5-propanoicacid, 3-(4-methoxyphenyl)-

MDL Number

MFCD00098187

FAQ

What are the physical and chemical properties of 3-[3-(4-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid (CAS: 94192-18-4)?

3-[3-(4-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid is a crystalline solid with a molecular weight of approximately 308.31 g/mol. It is slightly soluble in water and more soluble in organic solvents like ethanol and acetone. The compound shows moderate reactivity, especially in acidic or basic conditions, and is stable under normal storage conditions.

How is 3-[3-(4-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid (CAS: 94192-18-4) typically synthesized?

3-[3-(4-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid is usually synthesized via a multi-step process involving the condensation of 4-methoxybenzene with carbon dioxide to form a 1,2,4-oxadiazole, followed by a coupling reaction with 3-bromopropanoic acid in the presence of a suitable base and a catalyst. The overall reaction provides good yield and selectivity.

What industries use 3-[3-(4-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid (CAS: 94192-18-4)?

3-[3-(4-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid finds applications in the pharmaceutical industry for its potential as a drug candidate. It is also used in the synthesis of various chemical intermediates and in the development of sensors and semiconductors due to its unique structural properties.

What precautions should be taken when handling 3-[3-(4-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid (CAS: 94192-18-4)?

When handling 3-[3-(4-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid, it is important to wear appropriate personal protective equipment (PPE) such as gloves and goggles. Store in a cool, dry place away from direct sunlight. Handle in a well-ventilated area or a fume hood to avoid inhalation. In case of spill, neutralize with an appropriate base or acid and then dispose of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed safety information.

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