3-(3-Acetyl-4-{2-hydroxy-3-[(2-methyl-2-propanyl)amino]propoxy}phenyl)-1,1-diethylurea | CAS No. 56980-93-9

3-(3-Acetyl-4-{2-hydroxy-3-[(2-methyl-2-propanyl)amino]propoxy}phenyl)-1,1-diethylurea

Basic Information

CAS Number

56980-93-9

Molecular Formula

C20H33N3O4

Molecular Weight

379.5 g/mol

AD

Basic Physical Properties

Melting Point

110-112°

CCN(CC)C(=O)NC1=CC(=C(C=C1)OCC(CNC(C)(C)C)O)C(=O)C

InChI

InChI=1S/C20H33N3O4/c1-7-23(8-2)19(26)22-15-9-10-18(17(11-15)14(3)24)27-13-16(25)12-21-20(4,5)6/h9-11,16,21,25H,7-8,12-13H2,1-6H3,(H,22,26)

InChIKey

JOATXPAWOHTVSZ-UHFFFAOYSA-N

LogP

2.8907000000000007

Topological Polar Surface Area

90.9 Ų

Hydrogen Bond Donor/Acceptor

3 / 7

Complexity

474

Synonyms & References

English

  • CS-0078214
  • RHC-5320A
  • Celiprolol [INN:BAN]
  • BRN 2776298
  • BRD-A95602221-003-01-3
  • Celiprolol (INN)
  • 56980-93-9
  • DTXSID3020259
  • AKOS015917778
  • DB04846
  • CELIPROLOL HYDROCHLORIDE IMPURITY C [EP IMPURITY]
  • GTPL9064
  • RHC 5320 A
  • CELIPROLOL [INN]
  • Celiprolol base
  • benzylmethylsulfoxide
  • 3-[3-acetyl-4-({3-[(1,1-dimethylethyl)amino]-2-hydroxypropyl}oxy)phenyl]-1,1-diethylurea
  • DRB57K47QC
  • ACER002 FREE BASE
  • CHEBI:94461
  • Celiprololum
  • Edsivo
  • CELIPROLOL [VANDF]
  • UL/1677
  • CELIPROLOL [WHO-DD]
  • Celiprolol PCH
  • Celiprolol PCH (TN)
  • Celectol
  • RS)-N'-{3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl}-N,N-diethylurea
  • NCGC00344562-02
  • N'-(3-Acetyl-4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-N,N-diethylurea

MDL Number

MFCD00864577

FAQ

What are the physical and chemical properties of 3-(3-Acetyl-4-{2-hydroxy-3-[(2-methyl-2-propanyl)amino]propoxy}phenyl)-1,1-diethylurea (CAS: 56980-93-9)?

3-(3-Acetyl-4-{2-hydroxy-3-[(2-methyl-2-propanyl)amino]propoxy}phenyl)-1,1-diethylurea (CAS: 56980-93-9) is a solid with a crystalline form. Its molecular weight is approximately 491.6 g/mol. It has a low water solubility, around 0.1 g/L at 25°C. The compound is reactive towards strong acids and bases. It does not undergo significant chemical reactions under normal conditions but can hydrolyze under acidic or basic conditions.

How is 3-(3-Acetyl-4-{2-hydroxy-3-[(2-methyl-2-propanyl)amino]propoxy}phenyl)-1,1-diethylurea (CAS: 56980-93-9) typically synthesized?

3-(3-Acetyl-4-{2-hydroxy-3-[(2-methyl-2-propanyl)amino]propoxy}phenyl)-1,1-diethylurea (CAS: 56980-93-9) is typically synthesized through multi-step organic synthesis involving acetylation, amination, and urea formation. The synthesis involves the use of acetic anhydride, methylamine, and urea as key reagents. The reaction is carried out under basic conditions, with good yield and selectivity.

What industries use 3-(3-Acetyl-4-{2-hydroxy-3-[(2-methyl-2-propanyl)amino]propoxy}phenyl)-1,1-diethylurea (CAS: 56980-93-9)?

3-(3-Acetyl-4-{2-hydroxy-3-[(2-methyl-2-propanyl)amino]propoxy}phenyl)-1,1-diethylurea (CAS: 56980-93-9) is primarily used in the pharmaceutical industry for its potential as a precursor or intermediate in drug synthesis. It may also have applications in polymer synthesis and as a component in certain organic sensors or semiconductors, though its specific industrial applications are limited.

What precautions should be taken when handling 3-(3-Acetyl-4-{2-hydroxy-3-[(2-methyl-2-propanyl)amino]propoxy}phenyl)-1,1-diethylurea (CAS: 56980-93-9)?

When handling 3-(3-Acetyl-4-{2-hydroxy-3-[(2-methyl-2-propanyl)amino]propoxy}phenyl)-1,1-diethylurea (CAS: 56980-93-9), it is important to wear appropriate personal protective equipment (PPE) such as gloves and safety goggles. It should be stored in a cool, dry place away from direct sunlight. In case of spill, it should be handled in a fume hood to avoid inhalation. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.

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