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Home > Encyclopedia > 3-METHYLAMINO-1-PHENYLACETONEHYDROCHLORIDE

3-METHYLAMINO-1-PHENYLACETONEHYDROCHLORIDE

3-METHYLAMINO-1-PHENYLACETONEHYDROCHLORIDE structure

3-METHYLAMINO-1-PHENYLACETONEHYDROCHLORIDE 

structure
  • CAS No:

    2538-50-3

  • Formula:

    C10H14ClNO

  • Chemical Name:

    3-METHYLAMINO-1-PHENYLACETONEHYDROCHLORIDE

  • Synonyms:

    3-Methylaminopropiophenone;3-(METHYLAMINO)PROPIOPHENONEHCL;3-Methylamino-1-Phenyl-1-AcetoneHCl;3-Methylaminophenylpropanonehydrochloride;3-METHYLAMINO-1-PHENYLACETONEHYDROCHLORIDE;N,N-dibutylbenzene-1,4-diaMinehydrochloride;3-Methylamino-1-phenylpropan-1-onehydrochloride;1-(MethylaMino)-3-phenylpropan-2-onehydrochloride;3-(Methylamino)-1-phenyl-1-propanonehydrochloride;3-Methylaminophenylpropanonehydrochloride-(Methylamino)-1-phenyl-1-propanonehydrochloride

  • Categories:

    Pharmaceutical Intermediates  >  Antidepressants

3-METHYLAMINO-1-PHENYLACETONEHYDROCHLORIDE Basic Attributes

199.68

199.076385

9981

DTXSID00670020

Characteristics

29.1

2.67170

1.002g/cm3

139-141 °C(Solv: acetone (67-64-1))

274.7ºC at 760 mmHg

114.1ºC

1.515

0.00534mmHg at 25°C

3-METHYLAMINO-1-PHENYLACETONEHYDROCHLORIDE Use and Manufacturing

Acetophenone (25mmol), Methylamine hydrochloride (27.5mmol), Formaldehyde (35mmol), Concentrated hydrochloric acid (0.125 mmol) was added ethanol (12.5mL), and110 sealed vessel was heated 20h.After cooling to room temperature, the solvent was removed by distillation under reduced pressure was added ethyl acetate (25mL). Stirring was continued for 4h, filtered to give the crude product residue was washed with ethyl acetate, recrystallized from isopropanol to give the product 2a. Yield: 60-70percent.Flame dried (flame dried) 100 of the sealed tube (sealed tube) in acetophenone (3.1g, 25 mmol), paraformaldehyde (1.05 g, 35 mmol) and N-methylamine hydrochloride(N-methyl amine hydrochloride , 1.86 g, put 27.5 mmol) was dissolved in 12.5 absolute ethanol (anhydrous EtOH). The stirred concentrated hydrochloric acid (conc areaction mixture. HCl, was added to 0.125 ) and align the container screw (screwvessel) tightly and heated for 20 hours at 110 ° C. The solvent was evaporated underreduced pressure The reaction mixture was cooled to room temperature. Crude residue(crude residue) was dissolved in ethyl acetate and 50 was vigorously stirred to causeprecipitation. After filtering the precipitate, the crude precipitate (crude precipitate, 4.33g, 87percent) was recrystallized three times in hot IPA.Bright yellow solid (1.98 g, 39.8percent, purity 95percent

Computed Properties

Molecular Weight:199.68
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:199.0763918
Monoisotopic Mass:199.0763918
Topological Polar Surface Area:29.1
Heavy Atom Count:13
Complexity:139
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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