5-Hydroxy-3,3-dimethyl-1,3-dihydro-2H-indol-2-one

Basic Information

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CAS Number

80711-56-4

Molecular Formula

C10H11NO2

Molecular Weight

177.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

SMILES

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CC1(C2=C(C=CC(=C2)O)NC1=O)C

InChI

InChI=1S/C10H11NO2/c1-10(2)7-5-6(12)3-4-8(7)11-9(10)13/h3-5,12H,1-2H3,(H,11,13)

InChIKey

IVMYKLYNZCWHTC-UHFFFAOYSA-N

LogP

1.6219

Topological Polar Surface Area

49.33 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

237

Synonyms & References

English

5-hydroxy-3,3-dimethyl-1,3-dihydroindol-2-one
NS-01499
I11646
SB65313
2H-Indol-2-one, 1,3-dihydro-5-hydroxy-3,3-dimethyl-
5-Hydroxy-3,3-dimethyl-1,3-dihydro-indol-2-one
SCHEMBL3878508
A864659
DTXSID90360928
CS-0246232
3,3-dimethyl-5-hydroxy-2,3-dihydro-1H-indol-2-one
MFCD00834184
5-hydroxy-3,3-dimethyl-2,3-dihydro-1H-indol-2-one
5-Hydroxy-3,3-dimethylindolin-2-one
80711-56-4
AKOS006273126
FT-0692743
EN300-3201048
5-HYDROXY-3,3-DIMETHYL-1H-INDOL-2-ONE
IVMYKLYNZCWHTC-UHFFFAOYSA-N
5-hydroxy-3,3-dimethyl-1H-indol-2-one

MDL Number

MFCD00834184

FAQ

What are the physical and chemical properties of 5-Hydroxy-3,3-dimethyl-1,3-dihydro-2H-indol-2-one (CAS: 80711-56-4)?

5-Hydroxy-3,3-dimethyl-1,3-dihydro-2H-indol-2-one (CAS: 80711-56-4) is a crystalline solid with a molecular weight of approximately 210.22 g/mol. It has a solubility of about 0.01 g/L in water at 20°C. This compound is moderately reactive, particularly towards nucleophiles and electrophiles. It is not flammable but may undergo hydrolysis in basic conditions.

How is 5-Hydroxy-3,3-dimethyl-1,3-dihydro-2H-indol-2-one (CAS: 80711-56-4) typically synthesized?

5-Hydroxy-3,3-dimethyl-1,3-dihydro-2H-indol-2-one (CAS: 80711-56-4) is commonly synthesized via a multi-step process involving the condensation of 3,3-dimethylindoline-2,3-dione with hydroxylation. Common catalysts include transition metals like palladium. The overall yield can range from 50-70%.

What industries use 5-Hydroxy-3,3-dimethyl-1,3-dihydro-2H-indol-2-one (CAS: 80711-56-4)?

5-Hydroxy-3,3-dimethyl-1,3-dihydro-2H-indol-2-one (CAS: 80711-56-4) is used in the pharmaceutical industry for its potential as a precursor in the synthesis of bioactive compounds. It is also utilized in the polymer industry due to its structural rigidity and in the development of sensors and semiconductors for its electronic properties.

What precautions should be taken when handling 5-Hydroxy-3,3-dimethyl-1,3-dihydro-2H-indol-2-one (CAS: 80711-56-4)?

When handling 5-Hydroxy-3,3-dimethyl-1,3-dihydro-2H-indol-2-one (CAS: 80711-56-4), it is important to wear appropriate personal protective equipment (PPE) such as gloves, safety glasses, and a lab coat. Work should be conducted in a fume hood to minimize exposure. Spills should be cleaned up using absorbent materials and disposed of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal information.