Methyl 3-(5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl)benzoate | CAS No. 775304-60-4

Methyl 3-(5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl)benzoate

Basic Information

CAS Number

775304-60-4

Molecular Formula

C16H11FN2O3

Molecular Weight

298.27 g/mol

AD

Basic Physical Properties

Boiling Point

457.2±55.0°C at 760 mmHg

COC(=O)C1=CC=CC(=C1)C2=NOC(=N2)C3=CC=CC=C3F

InChI

InChI=1S/C16H11FN2O3/c1-21-16(20)11-6-4-5-10(9-11)14-18-15(22-19-14)12-7-2-3-8-13(12)17/h2-9H,1H3

InChIKey

LFJJTHGQRVVGGN-UHFFFAOYSA-N

LogP

3.3293000000000017

Topological Polar Surface Area

65.22 Ų

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

396

Safety Information

View Safety Information

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

  • Benzoic acid, 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-, methyl ester
  • methyl 3-(5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl)benzoate
  • MLS002391460
  • Methyl 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoate
  • SMR001355430
  • 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid methyl ester
  • BDBM94057
  • cid_11208732
  • HMS3338H07
  • HMS2201E09
  • SY233501
  • AK601638
  • Benzoic acid,3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-,Methyl ester
  • Benzoic a
  • 775304-60-4
  • Z1278904749
  • NCGC00183594-01
  • ALBB-036380
  • F14761
  • MFCD09971792
  • SCHEMBL59495
  • AKOS030524178
  • CHEMBL1394246
  • Methyl3-(5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl)benzoate
  • CS-0059779
  • DS-19714
  • Methyl 3-(5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl)benzoate

MDL Number

MFCD09971792

FAQ

What are the physical and chemical properties of Methyl 3-(5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl)benzoate (CAS: 775304-60-4)?

Methyl 3-(5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl)benzoate is a crystalline compound with a molecular weight of approximately 303.27 g/mol. It is slightly soluble in water but highly soluble in organic solvents such as ethanol and acetonitrile. The compound exhibits good stability in air and is known for its reactivity in various organic reactions, particularly in condensation and substitution reactions.

How is Methyl 3-(5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl)benzoate (CAS: 775304-60-4) typically synthesized?

Methyl 3-(5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl)benzoate is commonly synthesized via a multistep process involving the condensation of 2-fluorophenyl isocyanate with 1,3-dibromo-5-(methylcarbamoyl)benzene, followed by the formation of the oxadiazole ring. The synthesis typically involves the use of palladium catalysts and requires careful temperature control to achieve high yield and selectivity.

What industries use Methyl 3-(5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl)benzoate (CAS: 775304-60-4)?

Methyl 3-(5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl)benzoate is primarily used in the pharmaceutical industry for the synthesis of active pharmaceutical ingredients (APIs). It also finds applications in the polymer industry for the development of advanced materials and in the sensor industry for the fabrication of chemical sensors due to its unique spectroscopic properties.

What precautions should be taken when handling Methyl 3-(5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl)benzoate (CAS: 775304-60-4)?

When handling Methyl 3-(5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl)benzoate (CAS: 775304-60-4), it is essential to wear 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 immediately using appropriate absorbents. Always refer to the safety data sheet (SDS) for detailed handling and disposal instructions.

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