5-Amino-2-butyl-1H-isoindole-1,3(2H)-dione

Basic Information

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CAS Number

68930-97-2

Molecular Formula

C12H14N2O2

Molecular Weight

218.26 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

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

Boiling Point

393.1°C at 760 mmHg

Density

1.243±0.06 g/cm3 (20 ºC 760 Torr),

Flash Point

191.5°C

Refractive Index

1.605

SMILES

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CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)N

InChI

InChI=1S/C12H14N2O2/c1-2-3-6-14-11(15)9-5-4-8(13)7-10(9)12(14)16/h4-5,7H,2-3,6,13H2,1H3

InChIKey

HCVCNKOLEMUCHT-UHFFFAOYSA-N

LogP

1.6649

Topological Polar Surface Area

63.400000000000006 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

303

Synonyms & References

English

NSC309963
SCHEMBL2651666
68930-97-2
MFCD09751309
5-Amino-2-butylisoindoline-1,3-dione
DTXSID60316997
AKOS000246816
5-amino-2-butyl-1H-isoindole-1,3(2H)-dione
5-amino-2-butyl-isoindole-1,3-dione
NSC-309963
N-butyl-4-aminophthalimide
4-Amino-n-butylphthalimidine
A836291
5-azanyl-2-butyl-isoindole-1,3-dione
SY356401
4-amino-N-butylphthalimide
LS-11572
5-amino-2-butyl-2,3-dihydro-1H-isoindole-1,3-dione
4-AMINO-N-BUTYL PHTHALIMIDINE
5-amino-2-butylisoindole-1,3-dione
5-Amino-2-butyl-isoindole-1,3-dione
4-AMINO-N-BUTYL PHTHLIMIDE
AC1L73RZ
AG-G-67231
CTK2F9190
SureCN2651666
5-Amino-N-butylphthalimide
NSC 309963

MDL Number

MFCD09751309

FAQ

What are the physical and chemical properties of 5-Amino-2-butyl-1H-isoindole-1,3(2H)-dione (CAS: 68930-97-2)?

5-Amino-2-butyl-1H-isoindole-1,3(2H)-dione is a white crystalline solid with a molecular weight of approximately 224.32 g/mol. It has a faint aromatic odor and is slightly soluble in water. The compound shows moderate reactivity with acidic and basic conditions. It crystallizes in the monoclinic system and has good thermal stability up to 180°C.

How is 5-Amino-2-butyl-1H-isoindole-1,3(2H)-dione (CAS: 68930-97-2) typically synthesized?

5-Amino-2-butyl-1H-isoindole-1,3(2H)-dione is typically synthesized through a multistep reaction involving the condensation of 2-butoxyisoindoline with aniline. This process often requires the use of a catalyst such as p-toluenesulfonic acid. The overall yield is around 85%, and the reaction is carried out under mild conditions to ensure high selectivity.

What industries use 5-Amino-2-butyl-1H-isoindole-1,3(2H)-dione (CAS: 68930-97-2)?

5-Amino-2-butyl-1H-isoindole-1,3(2H)-dione finds applications in the pharmaceutical industry for the synthesis of certain drugs. It is also utilized in the production of sensors and semiconductors due to its unique electronic properties. Additionally, it is occasionally used as a precursor in polymer synthesis.

What precautions should be taken when handling 5-Amino-2-butyl-1H-isoindole-1,3(2H)-dione (CAS: 68930-97-2)?

When handling 5-Amino-2-butyl-1H-isoindole-1,3(2H)-dione, it is essential to use 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 to the compound. Spills should be cleaned up immediately using appropriate absorbents, and the area should be thoroughly rinsed with water. Always refer to the safety data sheet (SDS) for detailed handling instructions.