{(3S)-1-[(4-Methylphenyl)sulfonyl]-3-pyrrolidinyl}(diphenyl)acetonitrile | CAS No. 133099-09-9

{(3S)-1-[(4-Methylphenyl)sulfonyl]-3-pyrrolidinyl}(diphenyl)acetonitrile

Basic Information

CAS Number

133099-09-9

Molecular Formula

C25H24N2O2S

Molecular Weight

416.5 g/mol

AD

Basic Physical Properties

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(C2)C(C#N)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H24N2O2S/c1-20-12-14-24(15-13-20)30(28,29)27-17-16-23(18-27)25(19-26,21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15,23H,16-18H2,1H3/t23-/m1/s1

InChIKey

XPQZNOFTICUMIN-HSZRJFAPSA-N

LogP

5.53418

Complexity

696

Synonyms & References

English

  • SCHEMBL3229344
  • A806555
  • (S)-2,2-diphenyl-2-(1-tosyl-3-pyrrolidinyl)acetonitrile
  • 3-(S)-(1-cyano-1,1-diphenylmethyl)-1-tosylpyrrolidine
  • (S)-2,2-diphenyl-2-(1-tosylpyrrolidin-3-yl)acetonitrile
  • 2-[(3S)-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-2,2-diphenylacetonitrile
  • AC-8864
  • F15228
  • CS-M0900
  • CS-13241
  • (S)-Diphenyl-[1-(toluene-4-sulfonyl)-pyrrolidin-3-yl]-acetonitrile
  • (3S)-1-Tosyl-alpha,alpha-diphenyl-3-pyrrolidineacetonitrile
  • AKOS015895850
  • C25H24N2O2S
  • Q-101009
  • 133099-09-9
  • (S)-3-(1-CYANO-1,1-DIPHENYLMETHYL)-1-TOSYLPYRROLIDINE
  • MFCD11616859
  • [(3S)-1-(4-Methylbenzene-1-sulfonyl)pyrrolidin-3-yl](diphenyl)acetonitrile
  • 3-(S)-(+)-(1-cyano-1,1-diphenylmethyl)-1-tosylpyrrolidine
  • 3-Pyrrolidineacetonitrile, 1-[(4-methylphenyl)sulfonyl]-alpha,alpha-diphenyl-, (3S)-
  • XPQZNOFTICUMIN-HSZRJFAPSA-N
  • DTXSID00628647
  • 3-(S)-(1-Cyano-1,1-diphenylmethyl)-1-tosylpyrrolidine
  • (s)-3-(1-cyano-1,1-diphenylmethyl)-1-tosyloxypyrrolidine (Darifenacin)
  • (3S)- 1-[(4-methylphenyl)sulfonyl]-diphenyl-3-Pyrrolidineacetonitrile
  • (s)-3-(1-cyano-1,1-diphenylmethyl)-1-tosyloxypyrrolidine
  • (S)-2,2-Diphenyl-2-(1-tosyl-3-pyrrolidinyl)acetonitrile
  • (3S)-1-Tosyl-α,α-diphenyl-
  • (S)-3-(1-Cyano-1,1-diphenylmethyl)-1-tosylpyrrolidine
  • Darifenacin Intermediate III

MDL Number

MFCD11616859

FAQ

What are the physical and chemical properties of (3S)-1-[(4-Methylphenyl)sulfonyl]-3-pyrrolidinyl}(diphenyl)acetonitrile (CAS: 133099-09-9)?

The physical properties of (3S)-1-[(4-Methylphenyl)sulfonyl]-3-pyrrolidinyl}(diphenyl)acetonitrile include a crystalline form with a molecular weight of approximately 565.65 g/mol. It has low water solubility but good solubility in organic solvents such as dimethylformamide and acetonitrile. Chemically, it is moderately reactive, particularly towards nucleophiles and can undergo acylation reactions with good yield.

How is (3S)-1-[(4-Methylphenyl)sulfonyl]-3-pyrrolidinyl}(diphenyl)acetonitrile (CAS: 133099-09-9) typically synthesized?

This compound is typically synthesized via the condensation of (4-methylphenyl)sulfonyl chloride with (3S)-3-pyrrolidinyl-diphenylacetonitrile. The reaction is catalyzed by a strong base like sodium hydride, and the process involves high selectivity, with a yield of up to 85%.

What industries use (3S)-1-[(4-Methylphenyl)sulfonyl]-3-pyrrolidinyl}(diphenyl)acetonitrile (CAS: 133099-09-9)?

This compound is used in various industries, including pharmaceuticals for developing specific drug candidates, and in materials science for polymer synthesis and sensor technology. It is also explored in semiconductor manufacturing for its unique chemical properties.

What precautions should be taken when handling (3S)-1-[(4-Methylphenyl)sulfonyl]-3-pyrrolidinyl}(diphenyl)acetonitrile (CAS: 133099-09-9)?

Proper personal protective equipment (PPE) is essential when handling this compound, including gloves, goggles, and lab coats. Work should be done in a fume hood to minimize inhalation risks. Spills should be cleaned up using appropriate absorbents, and all safety data sheets (SDS) should be consulted for specific handling and disposal instructions.

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