4-Amino-N-{[(2S)-1-ethyl-2-pyrrolidinyl]methyl}-5-(ethylsulfonyl)-2-methoxybenzamide | CAS No. 71675-92-8

4-Amino-N-{[(2S)-1-ethyl-2-pyrrolidinyl]methyl}-5-(ethylsulfonyl)-2-methoxybenzamide

Basic Information

CAS Number

71675-92-8

Molecular Formula

C17H27N3O4S

Molecular Weight

369.49 g/mol

AD

Basic Physical Properties

Density

1.200±0.06 g/cm3 (20 ºC 760 Torr),

CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)N)S(=O)(=O)CC

InChI

InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)/t12-/m0/s1

InChIKey

NTJOBXMMWNYJFB-LBPRGKRZSA-N

LogP

1.2851000000000006

Topological Polar Surface Area

101.72999999999999 Ų

Hydrogen Bond Donor/Acceptor

3 / 7

Complexity

549

Synonyms & References

English

  • UNII-ES3TWM82E8
  • ESAMISULPRIDE [INN]
  • (S)-(-)-N-(1-ethyl-2-pyrrolidinylmethyl)-2-methoxy-4-amino-5-ethylsulphonylbenzamide
  • DTXSID301316207
  • Benzamide, 4-amino-N-(((2S)-1-ethyl-2-pyrrolidinyl)methyl)-5-(ethylsulfonyl)-2-methoxy-
  • 4-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-ethylsulfonyl-2-methoxybenzamide
  • MS-25938
  • AKOS040747622
  • Amisulpride, (S)-
  • SCHEMBL675545
  • S-(-)-Amisulpride
  • HY-126068
  • (S)-4-Amino-N-((1-ethylpyrrolidin-2-yl)methyl)-5-(ethylsulfonyl)-2-methoxybenzamide
  • NTJOBXMMWNYJFB-LBPRGKRZSA-N
  • (S)-amisulpride
  • ESAMISULPRIDE
  • EX-A5710
  • 71675-92-8
  • ES3TWM82E8
  • CS-0090362
  • S-Amisulpride
  • Q27277333
  • AC-37136
  • (S)-4-Amino-N-[(1-ethyl-2-pyrrolidinyl)methyl]-5-(ethylsulfonyl)-2-methoxybenzamide
  • Benzamide,4-amino-N-[[(2S)-1-ethyl-2-pyrrolidinyl]methyl]-5-(ethylsulfonyl)-2-methoxy-
  • Benzamide,4-amino-N-[(1-ethyl-2-pyrrolidinyl)methyl]-5-(ethylsulfonyl)-2-methoxy-, (S)-
  • 4-Amino-N-[[(2S)-1-ethyl-2-pyrrolidinyl]methyl]-5-(ethylsulfonyl)-2-methoxybenzamide
  • (S)-Amisulpride

MDL Number

MFCD04112982

FAQ

What are the physical and chemical properties of 4-Amino-N-{[(2S)-1-ethyl-2-pyrrolidinyl]methyl}-5-(ethylsulfonyl)-2-methoxybenzamide (CAS: 71675-92-8)?

4-Amino-N-{[(2S)-1-ethyl-2-pyrrolidinyl]methyl}-5-(ethylsulfonyl)-2-methoxybenzamide is a crystalline compound with a molecular weight of approximately 419.47 g/mol. It is slightly soluble in water and ethanol. The compound is reactive towards nucleophiles and can undergo nucleophilic substitution reactions. It is stable under acidic and basic conditions but should be handled with care in the presence of strong oxidizing agents.

How is 4-Amino-N-{[(2S)-1-ethyl-2-pyrrolidinyl]methyl}-5-(ethylsulfonyl)-2-methoxybenzamide (CAS: 71675-92-8) typically synthesized?

4-Amino-N-{[(2S)-1-ethyl-2-pyrrolidinyl]methyl}-5-(ethylsulfonyl)-2-methoxybenzamide can be synthesized through a multi-step process involving the coupling of an aryl halide with an amino alcohol. The reaction uses a suitable base and is typically carried out in an aprotic solvent. The yield and selectivity can be enhanced by optimizing the reaction conditions and using appropriate catalysts.

What industries use 4-Amino-N-{[(2S)-1-ethyl-2-pyrrolidinyl]methyl}-5-(ethylsulfonyl)-2-methoxybenzamide (CAS: 71675-92-8)?

4-Amino-N-{[(2S)-1-ethyl-2-pyrrolidinyl]methyl}-5-(ethylsulfonyl)-2-methoxybenzamide is primarily used in the pharmaceutical industry for its potential as an intermediate in drug synthesis. It may also have applications in the polymer industry for the development of novel materials with specific properties.

What precautions should be taken when handling 4-Amino-N-{[(2S)-1-ethyl-2-pyrrolidinyl]methyl}-5-(ethylsulfonyl)-2-methoxybenzamide (CAS: 71675-92-8)?

When handling 4-Amino-N-{[(2S)-1-ethyl-2-pyrrolidinyl]methyl}-5-(ethylsulfonyl)-2-methoxybenzamide, it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Handle the compound in a well-ventilated area or a fume hood to avoid inhalation of vapors. Spills should be cleaned up immediately using appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed handling and storage information.

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