3-[(4,5-Dihydro-1H-imidazol-2-ylmethyl)(4-methylphenyl)amino]phenol | CAS No. 50-60-2

3-[(4,5-Dihydro-1H-imidazol-2-ylmethyl)(4-methylphenyl)amino]phenol

Basic Information

CAS Number

50-60-2

Molecular Formula

C17H19N3O

Molecular Weight

281.35 g/mol

AD

Basic Physical Properties

Melting Point

177 - 178oC

Boiling Point

62?°C20?mm Hg

Flash Point

158?°F

Refractive Index

n20/D 1.489(lit.)

Vapor Pressure

1.16E-10mmHg at 25°C

CC1=CC=C(C=C1)N(CC2=NCCN2)C3=CC(=CC=C3)O

InChI

InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)

InChIKey

MRBDMNSDAVCSSF-UHFFFAOYSA-N

LogP

log Kow = 3.36 (est)

Topological Polar Surface Area

47.86 Ų

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

363

Synonyms & References

English

  • GTPL502
  • EN300-51916
  • MLS000040874
  • KBio2_000477
  • Spectrum4_000899
  • HMS2235D17
  • 2-[N-(3-Hydroxyphenyl)-p-toluidinomethyl]-2-imidazolidine
  • phentolamin-
  • C 7337 Ciba
  • Vasomax (TN)
  • NCGC00021804-09
  • CAS-50-60-2
  • NCGC00016311-13
  • Tox21_110364
  • Fentolamina [INN-Spanish]
  • SPBio_002200
  • NCGC00021804-06
  • AB00053768-28
  • Fentolamina
  • EINECS 200-053-1
  • PHENTOLAMINE [HSDB]
  • CAS-73-05-2
  • NCGC00016311-15
  • NCGC00021804-07
  • Phentolamin
  • HMS3402H17
  • 5-25-09-00365 (Beilstein Handbook Reference)
  • NCGC00016311-19
  • C17H19N3O
  • HMS2089E03
  • 3-[(4,5-dihydro-1H-imidazol-2-ylmethyl)(4-methylphenyl)amino]phenol

MDL Number

MFCD00242985

Customs Code

2933290090

FAQ

What are the physical and chemical properties of 3-[(4,5-Dihydro-1H-imidazol-2-ylmethyl)(4-methylphenyl)amino]phenol (CAS: 50-60-2)?

3-[(4,5-Dihydro-1H-imidazol-2-ylmethyl)(4-methylphenyl)amino]phenol (CAS: 50-60-2) is a crystalline solid with a molecular weight of approximately 329.38 g/mol. It has a solubility of about 0.1 g/100 mL in water and moderate solubility in organic solvents like ethanol and acetone. The compound is moderately reactive towards acids and bases under normal conditions, displaying good stability in neutral media.

How is 3-[(4,5-Dihydro-1H-imidazol-2-ylmethyl)(4-methylphenyl)amino]phenol (CAS: 50-60-2) typically synthesized?

3-[(4,5-Dihydro-1H-imidazol-2-ylmethyl)(4-methylphenyl)amino]phenol (CAS: 50-60-2) is typically synthesized through a multi-step process involving the reaction of 4-methylphenylamine with imidazole-2-ylmethyl chloride. The synthesis involves careful control of reaction conditions to achieve high yield and selectivity, often using anhydrous conditions and appropriate catalysts to enhance reaction efficiency.

What industries use 3-[(4,5-Dihydro-1H-imidazol-2-ylmethyl)(4-methylphenyl)amino]phenol (CAS: 50-60-2)?

3-[(4,5-Dihydro-1H-imidazol-2-ylmethyl)(4-methylphenyl)amino]phenol (CAS: 50-60-2) is used in the pharmaceutical industry for its potential as an intermediate in the synthesis of various drug compounds. It also finds applications in the polymer industry as a stabilizer and in sensor technologies for its functional groups.

What precautions should be taken when handling 3-[(4,5-Dihydro-1H-imidazol-2-ylmethyl)(4-methylphenyl)amino]phenol (CAS: 50-60-2)?

When handling 3-[(4,5-Dihydro-1H-imidazol-2-ylmethyl)(4-methylphenyl)amino]phenol (CAS: 50-60-2), use appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up using appropriate absorbents, and the area should be thoroughly washed down. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.

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