4-(2'-Bromomethyl)-1,3-dihydro-2H-indole-2-one

Basic Information

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CAS Number

120427-96-5

Molecular Formula

C10H8BrNO

Molecular Weight

238.08 g/mol

EINECS

1308068-626-2

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

Melting Point

153-155°C

Boiling Point

373.8±42.0 °C(Predicted)

Density

1.528

SMILES

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BrCCc1cccc2=NC(=O)C=c12

InChI

InChI=1S/C10H8BrNO/c11-5-4-7-2-1-3-9-8(7)6-10(13)12-9/h1-3,6H,4-5H2

InChIKey

KEFXEJHKEJPEOB-UHFFFAOYSA-N

LogP

0.5642999999999998

pKa

14.05±0.20(Predicted)

Topological Polar Surface Area

29.43 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Synonyms & References

English

4-(2'-BROMOETHYL)-1,3-DIHYDRO-2H-INDOLE-2-ONE
4-(2-Bromoethyl)-2-oxoindole
Ropinirole Intermediate 4
4-(2'-BROMOETHYL)-1,3-DIHYDRO-2H-INDOL-2-ONE
4-(2-BROMOETHYL)OXINDOLE
4-(2-Bromoethyl)Oxyindole
4-(2-Bromoethyl)indolin-2-one
4-(2-broMoethyl)-2H-indol-2-one
4-(2'-Bromoethyl)-1,3-dihydro-2-indoline-2-one
4-(2-Bromoethyl)-1,3-dihydro-2H-indolin-2-one
4-(2-Bromoethyl)-1,3-dihydro-2H-indol-2-one

MDL Number

MFCD09753096

EC Number

1308068-626-2

Customs Code

2933790090

FAQ

What are the physical and chemical properties of 4-(2'-Bromomethyl)-1,3-dihydro-2H-indole-2-one (CAS: 120427-96-5)?

4-(2'-Bromomethyl)-1,3-dihydro-2H-indole-2-one is a crystalline solid with a molecular weight of approximately 264.12 g/mol. It has limited water solubility but is soluble in organic solvents such as dichloromethane and dimethylformamide. Chemically, it is reactive towards nucleophiles and can undergo substitution reactions. It is also susceptible to degradation under basic conditions.

How is 4-(2'-Bromomethyl)-1,3-dihydro-2H-indole-2-one (CAS: 120427-96-5) typically synthesized?

4-(2'-Bromomethyl)-1,3-dihydro-2H-indole-2-one can be synthesized through a bromination reaction of indole using N-bromosuccinimide (NBS) in the presence of a radical initiator like benzoyl peroxide. The reaction involves the introduction of a bromomethyl group onto the indole ring, leading to a high yield of the desired product.

What industries use 4-(2'-Bromomethyl)-1,3-dihydro-2H-indole-2-one (CAS: 120427-96-5)?

4-(2'-Bromomethyl)-1,3-dihydro-2H-indole-2-one is primarily used in the pharmaceutical industry as an intermediate in the synthesis of certain biologically active compounds. It may also find applications in the production of functional materials and sensors due to its chemical reactivity and functional groups.

What precautions should be taken when handling 4-(2'-Bromomethyl)-1,3-dihydro-2H-indole-2-one (CAS: 120427-96-5)?

When handling 4-(2'-Bromomethyl)-1,3-dihydro-2H-indole-2-one, it is important to use personal protective equipment (PPE) such as gloves and safety goggles. Work should be conducted in a well-ventilated fume hood to minimize inhalation risks. Spills should be handled by appropriate absorbent materials and disposed of according to waste management protocols. Always refer to the Safety Data Sheet (SDS) for detailed handling and safety information.