5-(tert-Butyl)isoindoline-1,3-dione

Basic Information

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CAS Number

50727-07-6

Molecular Formula

C12H13NO2

Molecular Weight

203.24 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

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

142-143 ºC

SMILES

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CC(C)(C)C1=CC2=C(C=C1)C(=O)NC2=O

InChI

InChI=1S/C12H13NO2/c1-12(2,3)7-4-5-8-9(6-7)11(15)13-10(8)14/h4-6H,1-3H3,(H,13,14,15)

InChIKey

MQAXXSNRKXXVON-UHFFFAOYSA-N

LogP

1.8677

Topological Polar Surface Area

46.17 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

303

Synonyms & References

English

5-(tert-Butyl)isoindoline-1,3-dione
5-tert-butylisoindole-1,3-dione
4-tert-Butylphthalimide
5-(tert-Butyl)phthalimide
4-t-butyl-phthalimide
CCG-5484
4-t-butylphthalimide
F10380
SB65316
DTXSID10345479
5-(t-Butyl)isoindoline-1,3-dione
MFCD00811795
BIM-0016498.P001
A901426
SY264917
50727-07-6
Oprea1_157335
SCHEMBL1839566
CBMicro_016467
DB-207217
5-tert-Butyl-1H-isoindole-1,3(2H)-dione #
Isoindole-1,3-dione, 5-tert-butyl-1,3-dihydro-
CS-0180872
5-tert-butylisoindoline-1,3-dione

MDL Number

MFCD00811795

FAQ

What is 5-(tert-Butyl)isoindoline-1,3-dione (CAS: 50727-07-6)?

5-(tert-Butyl)isoindoline-1,3-dione, also known as 5-tert-butylisoindoline-1,3-dione, is a chemical compound with the CAS number 50727-07-6. This compound is a yellow to orange crystalline solid with a molecular formula of C9H10O2. It is used in various applications including pharmaceuticals, as a research tool, and in organic synthesis.

What are the main uses of 5-(tert-Butyl)isoindoline-1,3-dione (CAS: 50727-07-6)?

5-(tert-Butyl)isoindoline-1,3-dione is primarily used in the pharmaceutical industry for the synthesis of certain drugs. It is also utilized in organic synthesis and as a research reagent. Additionally, it has applications in the preparation of various chemical intermediates and as an intermediate in the production of other organic compounds.

Is 5-(tert-Butyl)isoindoline-1,3-dione (CAS: 50727-07-6) safe?

5-(tert-Butyl)isoindoline-1,3-dione is generally considered safe when handled properly. However, it should be used with caution as it may cause irritation to the eyes and skin. Proper protective measures, such as wearing gloves and eye protection, are recommended. It is also important to ensure adequate ventilation during handling.

How should 5-(tert-Butyl)isoindoline-1,3-dione (CAS: 50727-07-6) be stored?

5-(tert-Butyl)isoindoline-1,3-dione should be stored in a cool, dry place, away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture absorption. Ideal storage conditions include temperatures below 25°C and a relative humidity of less than 50%.