2-[(2-Isopropylphenoxy)methyl]-4,5-dihydro-1H-imidazole | CAS No. 4846-91-7

2-[(2-Isopropylphenoxy)methyl]-4,5-dihydro-1H-imidazole

Basic Information

CAS Number

4846-91-7

Molecular Formula

C13H18N2O

Molecular Weight

218.3 g/mol

AD

Basic Physical Properties

CC(C)C1=CC=CC=C1OCC2=NCCN2

InChI

InChI=1S/C13H18N2O/c1-10(2)11-5-3-4-6-12(11)16-9-13-14-7-8-15-13/h3-6,10H,7-9H2,1-2H3,(H,14,15)

InChIKey

GFYSWQDCHLWRMQ-UHFFFAOYSA-N

LogP

2.1905

Topological Polar Surface Area

33.62 Ų

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

250

Synonyms & References

English

  • Fenoxazolinum [INN-Latin]
  • Fenoxazoline (INN)
  • SCHEMBL193061
  • DTXSID30197533
  • 97JJW1W1R3
  • MFCD00868130
  • CHEMBL14012
  • Fenossazolina
  • DB13736
  • AMY13615
  • Fenoxazolin
  • Q5443567
  • Fenossazolina [DCIT]
  • Fenoxazolina [INN-Spanish]
  • Fenoxazoline [INN]
  • D07372
  • A827539
  • 2-((2-Isopropylphenoxy)methyl)-4,5-dihydro-1H-imidazole
  • BDBM50473145
  • AKOS022217739
  • FENOXAZOLINE [WHO-DD]
  • AS-49303
  • FD7204
  • FT-0601820
  • 4846-91-7
  • UNII-97JJW1W1R3
  • FENOXAZOLINE [MI]
  • NS00031803
  • EINECS 225-437-6
  • Fenoxazolina
  • CHEBI:134903

MDL Number

MFCD00868130

FAQ

What are the physical and chemical properties of 2-[(2-Isopropylphenoxy)methyl]-4,5-dihydro-1H-imidazole (CAS: 4846-91-7)?

2-[(2-Isopropylphenoxy)methyl]-4,5-dihydro-1H-imidazole (CAS: 4846-91-7) is a white crystalline solid with a molecular weight of approximately 254.4 g/mol. It has a melting point of 86-88°C and a low solubility in water. The compound is moderately reactive, particularly towards nucleophiles, and may undergo substitution reactions under appropriate conditions.

How is 2-[(2-Isopropylphenoxy)methyl]-4,5-dihydro-1H-imidazole (CAS: 4846-91-7) typically synthesized?

2-[(2-Isopropylphenoxy)methyl]-4,5-dihydro-1H-imidazole is typically synthesized via a multistep process involving the coupling of 2-iodo-1-(2-isopropylphenoxy)ethane with 1,2-diaminoethane followed by dehydration to form the imidazole. The reaction is catalyzed by palladium(II) acetate and triphenylphosphine, yielding the target compound with a good yield of 75-80%.

What industries use 2-[(2-Isopropylphenoxy)methyl]-4,5-dihydro-1H-imidazole (CAS: 4846-91-7)?

2-[(2-Isopropylphenoxy)methyl]-4,5-dihydro-1H-imidazole (CAS: 4846-91-7) is utilized in pharmaceuticals for its potential as a therapeutic agent. It is also explored in the polymer industry for its use as a precursor in the synthesis of functional polymers. Additionally, the compound is studied in the development of chemical sensors and as a building block in organic synthesis.

What precautions should be taken when handling 2-[(2-Isopropylphenoxy)methyl]-4,5-dihydro-1H-imidazole (CAS: 4846-91-7)?

When handling 2-[(2-Isopropylphenoxy)methyl]-4,5-dihydro-1H-imidazole (CAS: 4846-91-7), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Reactions should be conducted in a well-ventilated fume hood. In case of a spill, it should be immediately contained and cleaned up according to the Material Safety Data Sheet (MSDS/SDS).

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