4-Bromo-3,3-dimethyl-1,3-dihydro-2H-indol-2-one

Basic Information

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CAS Number

870552-47-9

Molecular Formula

C10H10BrNO

Molecular Weight

240.1 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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

Pale-yellow to Yellow-brown Solid

SMILES

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O=C1NC2=C(C(Br)=CC=C2)C1(C)C

InChI

InChI=1S/C10H10BrNO/c1-10(2)8-6(11)4-3-5-7(8)12-9(10)13/h3-5H,1-2H3,(H,12,13)

InChIKey

JOYAZIZUUBNQFV-UHFFFAOYSA-N

LogP

2.6788000000000007

Topological Polar Surface Area

29.1 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

239

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H317 May cause an allergic skin reaction
Sensitization, Skin

Synonyms & References

English

4-BROMO-3,3-DIMETHYLINDOLIN-2-ONE
4-bromo-3,3-dimethyl-1H-indol-2-one
FCH1342217
AX8266537
2H-Indol-2-one, 4-bromo-1,3-dihydro-3,3-dimethyl-
4-bromo-3,3-dimethyl-indolin-2-one

MDL Number

MFCD18711494

FAQ

What are the physical and chemical properties of 4-Bromo-3,3-dimethyl-1,3-dihydro-2H-indol-2-one (CAS: 870552-47-9)?

4-Bromo-3,3-dimethyl-1,3-dihydro-2H-indol-2-one has a crystalline form with a molecular weight of approximately 268.04 g/mol. It is moderately soluble in common organic solvents like DMSO and acetone but poorly soluble in water. The compound exhibits moderate reactivity, particularly towards nucleophiles due to its electron-withdrawing bromine atom and electron-donating methyl groups.

How is 4-Bromo-3,3-dimethyl-1,3-dihydro-2H-indol-2-one (CAS: 870552-47-9) typically synthesized?

4-Bromo-3,3-dimethyl-1,3-dihydro-2H-indol-2-one is typically synthesized via a multi-step process starting from indole. The key steps include bromination of the indole ring, followed by acylation and methylation. The reaction is often catalyzed by Lewis acids and proceeds with good yield and selectivity.

What industries use 4-Bromo-3,3-dimethyl-1,3-dihydro-2H-indol-2-one (CAS: 870552-47-9)?

4-Bromo-3,3-dimethyl-1,3-dihydro-2H-indol-2-one is primarily used in the pharmaceutical industry for the synthesis of novel compounds with potential bioactivity. It is also utilized in the polymer industry for the development of advanced materials and in the field of chemical sensors for detecting specific compounds.

What precautions should be taken when handling 4-Bromo-3,3-dimethyl-1,3-dihydro-2H-indol-2-one (CAS: 870552-47-9)?

Proper personal protective equipment (PPE) should be worn when handling 4-Bromo-3,3-dimethyl-1,3-dihydro-2H-indol-2-one, including gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize inhalation risk. Spills should be cleaned up using appropriate absorbent materials and discarded according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed safety information.