4-(1,3-Dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoic acid | CAS No. 88909-96-0

4-(1,3-Dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoic acid

Basic Information

CAS Number

88909-96-0

Molecular Formula

C16H13NO4

Molecular Weight

283.28 g/mol

AD

Basic Physical Properties

Boiling Point

536.5°C at 760 mmHg

Density

1.403

Flash Point

278.3°C

Refractive Index

1.672

C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCC(=O)O

InChI

InChI=1S/C16H13NO4/c18-13(19)8-3-9-17-15(20)11-6-1-4-10-5-2-7-12(14(10)11)16(17)21/h1-2,4-7H,3,8-9H2,(H,18,19)

InChIKey

ZHXRDXTYPCPBTI-UHFFFAOYSA-N

LogP

2.3006

Topological Polar Surface Area

74.68 Ų

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

431

Synonyms & References

English

  • 4-{2,4-Dioxo-3-azatricyclo[7.3.1.0 {5,13}]trideca- 1(13),5,7,9,11-pentaen-3-yl}butanoic acid
  • DTXSID10237406
  • 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoic acid
  • Spectrum3_001240
  • ISODIBUT [WHO-DD]
  • SPBio_000498
  • CHEMBL403272
  • CHEBI:189759
  • 4-(N-(1,8-naphthalimide))-n-butyric acid
  • KBio3_002220
  • Spectrum2_000449
  • CBMicro_014897
  • SMR000504925
  • 24SR2Q1Y6M
  • DG-0077
  • Isodibut
  • SCHEMBL3134908
  • 1h,3H-benzo(de)isoquinoline-2-butyric acid-1,3-dione
  • BRD-K60241851-001-02-8
  • ALX-430-147
  • 88909-96-0
  • AB00053241-05
  • AKOS000114634
  • 4-NAPHTHALIMIDOBUTYRIC ACID
  • CCG-39963
  • 1H-Benz(de)isoquinoline-2(3H)-butanoic acid, 1,3-dioxo-
  • 1,3-Dioxo-1H-benz(de)isoquinoline-2(3H)-butyric acid
  • 4-(1,3-DIOXO-1H,3H-BENZO(DE)ISOQUINOLIN-2-YL)-BUTYRIC ACID
  • HY-127041
  • 4-(N-(1,8-NAPHTHALIMIDO))-N-BUTYRIC ACID
  • KBio1_001968

MDL Number

MFCD00181400

FAQ

What is 4-(1,3-Dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoic acid (CAS: 88909-96-0)?

4-(1,3-Dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoic acid (CAS: 88909-96-0) is a key intermediate in organic synthesis and pharmaceuticals. It has a molecular formula of C16H14N2O3 and exhibits properties typical of carboxylic acids, including a pKa of about 3.9. This compound is characterized by its unique structural features, making it valuable in the development of various pharmaceuticals and agrochemicals.

What are the main uses of 4-(1,3-Dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoic acid (CAS: 88909-96-0)?

4-(1,3-Dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoic acid (CAS: 88909-96-0) is primarily used as an intermediate in the synthesis of pharmaceuticals and agrochemicals. It plays a crucial role in the development of drugs targeting specific biological pathways, as well as in the creation of novel compounds with potential applications in agriculture and health.

Is 4-(1,3-Dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoic acid (CAS: 88909-96-0) safe?

4-(1,3-Dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoic acid (CAS: 88909-96-0) is generally safe when handled with appropriate precautions. It should be stored in a cool, dry place away from direct sunlight and heat sources. Protective gloves and goggles should be worn during handling to prevent skin and eye contact. Inhalation of the compound should be avoided, and proper ventilation should be maintained.

How should 4-(1,3-Dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoic acid (CAS: 88909-96-0) be stored?

4-(1,3-Dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoic acid (CAS: 88909-96-0) should be stored in a well-ventilated, cool, and dry environment away from direct sunlight and heat sources. It should be kept in a tightly closed container to prevent degradation and ensure purity. The storage temperature should not exceed 25°C, and the relative humidity should be kept below 60%. Adequate ventilation and proper label indication are essential for safe storage.

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