2-Oxo-2-({3-[3-(1-piperidinylmethyl)phenoxy]propyl}amino)ethyl acetate | CAS No. 78628-28-1

2-Oxo-2-({3-[3-(1-piperidinylmethyl)phenoxy]propyl}amino)ethyl acetate

Basic Information

CAS Number

78628-28-1

Molecular Formula

C19H28N2O4

Molecular Weight

348.44 g/mol

AD

Basic Physical Properties

Melting Point

59-60°

Boiling Point

537.3°C at 760 mmHg

CC(=O)OCC(=O)NCCCOC1=CC=CC(=C1)CN2CCCCC2

InChI

InChI=1S/C19H28N2O4/c1-16(22)25-15-19(23)20-9-6-12-24-18-8-5-7-17(13-18)14-21-10-3-2-4-11-21/h5,7-8,13H,2-4,6,9-12,14-15H2,1H3,(H,20,23)

InChIKey

SMTZFNFIKUPEJC-UHFFFAOYSA-N

LogP

2.1206999999999994

Topological Polar Surface Area

67.87 Ų

Hydrogen Bond Donor/Acceptor

1 / 6

Complexity

410

Safety Information

View Safety Information

Toxicity

LD50 orally in male mice: 1000 mg/kg (Shibata)

Synonyms & References

English

  • ROXATIDINEACETATE
  • Roxatidina [Spanish]
  • L013395
  • 2-Oxo-2-({3-[3-(piperidin-1-ylmethyl)phenoxy]propyl}amino)ethyl acetate
  • 2-(Acetyloxy)-N-(3-(3-(1-piperidinylmethyl)phenoxy)propyl)acetamide
  • Roxane
  • ROXATIDINE ACETATE [WHO-DD]
  • A839385
  • NS00099003
  • NCGC00167499-01
  • SMTZFNFIKUPEJC-UHFFFAOYSA-N
  • ROXATIDINE ACETATE [VANDF]
  • AB00698491_09
  • ROXATIDINE ACETATE [MI]
  • ACETAMIDE, 2-(ACETYLOXY)-N-(3-(3-(1-PIPERIDINYLMETHYL)PHENOXY)PROPYL-
  • Aceroxatidine
  • Roxatidine acetate (BAN)
  • ({3-[3-(piperidin-1-ylmethyl)phenoxy]propyl}carbamoyl)methyl acetate
  • ROXATIDINE ACETATE
  • DB08806
  • Acetamide, 2-(acetyloxy)-N-(3-(3-(1-piperidinylmethyl)phenoxy)propyl)-
  • roxatidine-acetate
  • Roxatidinum [Latin]
  • 2-Oxo-2-((3-(3-(piperidin-1-ylmethyl)phenoxy)propyl)amino)ethyl acetate
  • CS-0013784
  • Roxatidine acetate [INN:BAN]
  • HMS2090N03
  • [2-oxo-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]ethyl] acetate
  • 78628-28-1 (roxatidine acetate)
  • AB00698491-07
  • Roxatidinum

MDL Number

MFCD00866898

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 2-Oxo-2-({3-[3-(1-piperidinylmethyl)phenoxy]propyl}amino)ethyl acetate (CAS: 78628-28-1)?

2-Oxo-2-({3-[3-(1-piperidinylmethyl)phenoxy]propyl}amino)ethyl acetate (CAS: 78628-28-1) is a crystalline solid with a molecular weight of approximately 438.5 g/mol. It has a high solubility in organic solvents such as dichloromethane and ethanol. This compound exhibits moderate reactivity, particularly towards nucleophilic substitution reactions. It is stable under normal storage conditions but should be protected from strong acids and bases.

How is 2-Oxo-2-({3-[3-(1-piperidinylmethyl)phenoxy]propyl}amino)ethyl acetate (CAS: 78628-28-1) typically synthesized?

2-Oxo-2-({3-[3-(1-piperidinylmethyl)phenoxy]propyl}amino)ethyl acetate (CAS: 78628-28-1) can be synthesized via a multi-step process involving esterification and amidation reactions. Commonly, this involves initial amidation of a phenolic compound with a piperidine derivative, followed by esterification with acetic anhydride. The reaction is typically catalyzed by a suitable acid or base, and the overall yield is moderate to good.

What industries use 2-Oxo-2-({3-[3-(1-piperidinylmethyl)phenoxy]propyl}amino)ethyl acetate (CAS: 78628-28-1)?

2-Oxo-2-({3-[3-(1-piperidinylmethyl)phenoxy]propyl}amino)ethyl acetate (CAS: 78628-28-1) is primarily used in the pharmaceutical industry for the synthesis of certain drugs due to its structural complexity and functional groups. It also finds applications in the polymer industry for modifying properties of polymers, and in the sensor industry for its use in detection mechanisms. Specific applications may vary depending on its functional groups and reactivity.

What precautions should be taken when handling 2-Oxo-2-({3-[3-(1-piperidinylmethyl)phenoxy]propyl}amino)ethyl acetate (CAS: 78628-28-1)?

When handling 2-Oxo-2-({3-[3-(1-piperidinylmethyl)phenoxy]propyl}amino)ethyl acetate (CAS: 78628-28-1), it is important to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Ensure that the work is conducted in a well-ventilated area or a fume hood. Spills should be cleaned up using appropriate absorbent materials, and any contaminated materials must be disposed of according to local regulations. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information.

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