3-(3,4-Dimethylphenyl)-5,7-bis(2-methyl-2-propanyl)-1-benzofuran-2(3H)-one | CAS No. 164391-52-0

3-(3,4-Dimethylphenyl)-5,7-bis(2-methyl-2-propanyl)-1-benzofuran-2(3H)-one

Basic Information

CAS Number

164391-52-0

Molecular Formula

C24H30O2

Molecular Weight

350.5 g/mol

AD

Basic Physical Properties

Melting Point

131.0 to 135.0 deg-C

CC1=C(C=C(C=C1)C2C3=C(C(=CC(=C3)C(C)(C)C)C(C)(C)C)OC2=O)C

InChI

InChI=1S/C24H30O2/c1-14-9-10-16(11-15(14)2)20-18-12-17(23(3,4)5)13-19(24(6,7)8)21(18)26-22(20)25/h9-13,20H,1-8H3

InChIKey

CYHYIIFODCKQNP-UHFFFAOYSA-N

LogP

5.949340000000006

Topological Polar Surface Area

26.3 Ų

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

523

Synonyms & References

English

  • 5,7-ditert-butyl-3-(3,4-dimethylphenyl)-3H-1-benzofuran-2-one
  • 5,7-di-tert-butyl-3-(3,4-dimethylphenyl)benzofuran-2(3H)-one
  • 164391-52-0
  • 5,7-di-tert-butyl-3-(3,4-dimethyl-phenyl)-3H-benzofuran-2-one
  • 5,7-di-tert-butyl-3-(3,4-dimethylphenyl)-3h-benzofuran-2-one
  • CYHYIIFODCKQNP-UHFFFAOYSA-N
  • UNII-66Z7T9UCWM
  • CS-0160740
  • DS-20085
  • 3-(3,4-dimethylphenyl)-5,7-di-tertbutyl-3H-benzofuran-2-one
  • Q27264040
  • 5,7-di-tert-butyl-3-(3,4-dimethylphenyl)-3h-benzo-furan-2-one
  • 5,7-di-tert-butyl-3-(3,4-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-one
  • 5,7-BIS(1,1-DIMETHYLETHYL)-3-(3,4-DIMETHYLPHENYL)-2(3H)-BENZOFURANONE
  • SCHEMBL39132
  • 66Z7T9UCWM
  • 2(3H)-Benzofuranone, 5,7-bis(1,1-dimethylethyl)-3-(3,4-dimethylphenyl)-
  • 5,7-Di-tert-butyl-3-(3,4-dimethylphenyl)-2(3H)-benzofuranone
  • DTXSID10889045
  • D5640
  • AKOS030631720
  • D84011
  • 3-(3,4-dimethylphenyl)-5,7-di-tert-butyl-3h-benzofuran-2-one
  • 5,7-di-tert-butyl-3-(3,4-dimethyl-phenyl)-3h benzofuran-2-one
  • MFCD30729989
  • SY247201
  • 2(3H)-Benzofuranone,5,7-bis(1,1-dimethylethyl)-3-(3,4-dimethylphenyl)-
  • 3-(3,4-dimethylphenyl)-5,7-di-tert-butyl-benzofuran-2-one
  • 5,7-di-tert-butyl-3-(3,4-dimethylphenyl)-3H-benzofuran-2-one
  • 5,7-di-tert-butyl-3-(3,4-dimethyphenyl)-3H-benzofuran-2-one
  • IrganoxTM HP-136

MDL Number

MFCD30729989

FAQ

What are the physical and chemical properties of 3-(3,4-Dimethylphenyl)-5,7-bis(2-methyl-2-propanyl)-1-benzofuran-2(3H)-one (CAS: 164391-52-0)?

This compound has a crystalline form with a molecular weight of approximately 424.51 g/mol. It is slightly soluble in water but soluble in common organic solvents like methanol and ethyl acetate. Chemically, it is stable under normal conditions but may react with strong bases. It is used in organic synthesis and pharmaceuticals due to its reactivity and structural complexity.

How is 3-(3,4-Dimethylphenyl)-5,7-bis(2-methyl-2-propanyl)-1-benzofuran-2(3H)-one (CAS: 164391-52-0) typically synthesized?

This compound is synthesized via a multi-step process involving the reaction of 3,4-dimethylbenzaldehyde with 2-methyl-2-propanol, followed by a condensation reaction. The synthesis involves the use of various catalysts and requires careful temperature control to achieve high yields and selectivity.

What industries use 3-(3,4-Dimethylphenyl)-5,7-bis(2-methyl-2-propanyl)-1-benzofuran-2(3H)-one (CAS: 164391-52-0)?

This compound is primarily used in the pharmaceutical industry for the development of new drug candidates. It is also used in the polymer industry for the synthesis of advanced polymers and in the sensor industry for the development of chemical sensors. Its unique structure makes it valuable in various applications requiring specific chemical properties.

What precautions should be taken when handling 3-(3,4-Dimethylphenyl)-5,7-bis(2-methyl-2-propanyl)-1-benzofuran-2(3H)-one (CAS: 164391-52-0)?

When handling this compound, it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. Spills should be immediately cleaned up using absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.

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