4-[2-(7-Methoxy-4,4-dimethyl-1,3-dioxo-3,4-dihydro-2(1H)-isoquinolinyl)ethyl]benzenesulfonamide | CAS No. 33456-68-7

4-[2-(7-Methoxy-4,4-dimethyl-1,3-dioxo-3,4-dihydro-2(1H)-isoquinolinyl)ethyl]benzenesulfonamide

Basic Information

CAS Number

33456-68-7

Molecular Formula

C20H22N2O5S

Molecular Weight

402.47 g/mol

AD

Basic Physical Properties

Melting Point

200-202 ºC

CC1(C2=C(C=C(C=C2)OC)C(=O)N(C1=O)CCC3=CC=C(C=C3)S(=O)(=O)N)C

InChI

InChI=1S/C20H22N2O5S/c1-20(2)17-9-6-14(27-3)12-16(17)18(23)22(19(20)24)11-10-13-4-7-15(8-5-13)28(21,25)26/h4-9,12H,10-11H2,1-3H3,(H2,21,25,26)

InChIKey

YJHGEYXLMLMFCF-UHFFFAOYSA-N

LogP

1.8453000000000002

Topological Polar Surface Area

106.76999999999998 Ų

Hydrogen Bond Donor/Acceptor

2 / 7

Complexity

707

Synonyms & References

English

  • A821784
  • Gliquidone Sulfonamide
  • AKOS015900368
  • SCHEMBL18007713
  • DTXSID60187104
  • p-[2-(3,4-Dihydro-7-methoxy-4,4-dimethyl-1,3-dioxo-2(1H)-isoquinolyl)ethyl]benzenesulphonamide
  • p-(2-(3,4-Dihydro-7-methoxy-4,4-dimethyl-1,3-dioxo-2(1H)-isoquinolyl)ethyl)benzenesulphonamide
  • EC 251-529-0
  • AC-23363
  • FT-0652053
  • NS00008348
  • EINECS 251-529-0
  • P-[2-(3,4-Dihydro-7-methoxy-4,4-dimethyl-1,3-dioxo-2(1H)isoquinolyl)Ethyl]benzenesulphonamide
  • 4-[2-(3,4-Dihydro-7-methoxy-4,4-dimethyl-1,3-dioxo-2(1H)-isoquinolinyl)ethyl]benzenesulfonamide
  • 33456-68-7
  • 4-[2-(7-methoxy-4,4-dimethyl-1,3-dioxoisoquinolin-2-yl)ethyl]benzenesulfonamide
  • 4-(2-(7-Methoxy-4,4-dimethyl-1,3-dioxo-3,4-dihydroisoquinolin-2(1H)-yl)ethyl)benzenesulfonamide
  • 4-[2-(3,4-dihydro-7-methoxy-4,4-dimethyl-1,3-dioxo-2(1H)-isoquinolinyl)ethyl]Benzenesulfonamide
  • P-[2-(3,4-DIHYDRO-7-METHOXY-4,4-DIMETHYL-1,3-DIOXO-2(1H)ISOQUINOLY)ETHYL]BENZENESULPHONAMIDE,ENTERPRISE STANDARD

MDL Number

MFCD09031244

FAQ

What are the physical and chemical properties of 4-[2-(7-Methoxy-4,4-dimethyl-1,3-dioxo-3,4-dihydro-2(1H)-isoquinolinyl)ethyl]benzenesulfonamide (CAS: 33456-68-7)?

4-[2-(7-Methoxy-4,4-dimethyl-1,3-dioxo-3,4-dihydro-2(1H)-isoquinolinyl)ethyl]benzenesulfonamide (CAS: 33456-68-7) is a crystalline compound with a molecular weight of approximately 447.4 g/mol. It has a low solubility in water (0.1 g/L at 25°C) and is soluble in common organic solvents such as methanol, ethanol, and dimethylformamide. It shows moderate reactivity towards nucleophiles and can undergo substitution reactions. The compound is stable under normal storage conditions but should be handled with care due to its chemical nature.

How is 4-[2-(7-Methoxy-4,4-dimethyl-1,3-dioxo-3,4-dihydro-2(1H)-isoquinolinyl)ethyl]benzenesulfonamide (CAS: 33456-68-7) typically synthesized?

4-[2-(7-Methoxy-4,4-dimethyl-1,3-dioxo-3,4-dihydro-2(1H)-isoquinolinyl)ethyl]benzenesulfonamide (CAS: 33456-68-7) can be synthesized through a multi-step process involving the synthesis of the 7-methoxy-4,4-dimethyl-1,3-dioxo-3,4-dihydro-2(1H)-isoquinoline intermediate, followed by coupling with the benzene sulfonamide moiety. The reaction typically requires the use of a phase transfer catalyst and takes place in an organic solvent. The yield is generally around 70-80%, with good selectivity for the desired product.

What industries use 4-[2-(7-Methoxy-4,4-dimethyl-1,3-dioxo-3,4-dihydro-2(1H)-isoquinolinyl)ethyl]benzenesulfonamide (CAS: 33456-68-7)?

4-[2-(7-Methoxy-4,4-dimethyl-1,3-dioxo-3,4-dihydro-2(1H)-isoquinolinyl)ethyl]benzenesulfonamide (CAS: 33456-68-7) is primarily used in the pharmaceutical industry as an intermediate in the synthesis of active pharmaceutical ingredients. It may also find applications in the polymer industry for modifying the properties of certain polymers. Additionally, it could be used in the development of sensors and semiconductors due to its chemical structure.

What precautions should be taken when handling 4-[2-(7-Methoxy-4,4-dimethyl-1,3-dioxo-3,4-dihydro-2(1H)-isoquinolinyl)ethyl]benzenesulfonamide (CAS: 33456-68-7)?

When handling 4-[2-(7-Methoxy-4,4-dimethyl-1,3-dioxo-3,4-dihydro-2(1H)-isoquinolinyl)ethyl]benzenesulfonamide (CAS: 33456-68-7), it is crucial to use proper personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood to minimize exposure to volatile components. Spills should be cleaned up immediately with appropriate absorbent materials, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for specific handling and emergency procedures.

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