Ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate | CAS No. 56649-47-9

Ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate

Basic Information

CAS Number

56649-47-9

Molecular Formula

C14H16N2O2

Molecular Weight

244.29 g/mol

AD

Basic Physical Properties

CCOC(=O)C1=CN=CN1C(C)C2=CC=CC=C2

InChI

InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3

InChIKey

NPUKDXXFDDZOKR-UHFFFAOYSA-N

LogP

2.669100000000001

Topological Polar Surface Area

44.12 Ų

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

277

Synonyms & References

English

  • NCGC00016817-02
  • MLS002154118
  • S(-)-Etomidate
  • AKOS030240711
  • ethyl 1-[(1S)-1-phenylethyl]-1H-imidazole-5-carboxylate
  • HMS3715A04
  • S-(-)-Etomidate
  • CHEMBL279678
  • BPBio1_001060
  • HMS2234K12
  • 3-[(1S)-1-phenylethyl]-4-imidazolecarboxylic acid ethyl ester
  • S-ETOMIDATE
  • 33125-97-2
  • BSPBio_000962
  • SMR001233425
  • CHEBI:95268
  • CCG-221041
  • ethyl 3-[(1S)-1-phenylethyl]imidazole-4-carboxylate
  • SCHEMBL39486
  • Prestwick3_001041
  • 3-((S)-1-Phenyl-ethyl)-3H-imidazole-4-carboxylic acid ethyl ester
  • Q27167116
  • HMS2098A04
  • AB00514014
  • BDBM50125937
  • CAS-33125-97-2
  • 56649-47-9
  • NCGC00016817-01
  • 1ST163688
  • 1H-Imidazole-5-carboxylic acid, 1-[(1S)-1-phenylethyl]-, ethyl ester
  • ethyl (S)-1-(1-phenylethyl)-1H-imidazole-5-carboxylate

MDL Number

MFCD30176497

FAQ

What are the physical and chemical properties of Ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate (CAS: 56649-47-9)?

Ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate is a white crystalline solid with a molecular weight of approximately 282.34 g/mol. It has a high solubility in organic solvents like ethanol and acetone but is poorly soluble in water. The compound is moderately reactive, showing good stability under acidic conditions and moderate reactivity in basic environments. It is also known to have some reactivity towards nucleophiles.

How is Ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate (CAS: 56649-47-9) typically synthesized?

Ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate is typically synthesized through a multi-step process involving the reaction of ethyl chloroacetate with 1-(1-phenylethyl)-1H-imidazole in the presence of a base such as potassium carbonate. The product is then isolated and purified by recrystallization from a suitable solvent. This method provides good yield and selectivity.

What industries use Ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate (CAS: 56649-47-9)?

Ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate is used in various industries, including pharmaceuticals where it serves as an intermediate in drug synthesis, and in the development of sensors and semiconductors due to its unique chemical properties. It is also explored for its potential in polymer chemistry.

What precautions should be taken when handling Ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate (CAS: 56649-47-9)?

Proper handling of Ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate requires the use of appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. It should be stored in a cool, dry place away from direct sunlight. In case of a spill, it is advisable to use a fume hood, and clean up using appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.

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