121625-71-6

Basic information

• Product Name: (1-butyl-2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-3-yl)acetic acid
• CAS NO: 121625-71-6
• Molecular Formula: C₁₇H₂₅NO₃
• Molecular Weight: 291.3853
• Mol File: 121625-71-6.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 477°C at 760 mmHg
• Flash Point: 242.3°C
• Density: 1.14g/cm³
• Vapor Pressure: 6.62E-10mmHg at 25°C
• Refractive Index: 1.56
• CAS DataBase Reference: (1-butyl-2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-3-yl)acetic acid(CAS DataBase Reference)
• NIST Chemistry Reference: (1-butyl-2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-3-yl)acetic acid(121625-71-6)
• EPA Substance Registry System: (1-butyl-2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-3-yl)acetic acid(121625-71-6)

Safety Data

• Hazardous Substances Data: 121625-71-6(Hazardous Substances Data)

Usage

General Description

(1-butyl-2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-3-yl)acetic acid is a synthetic chemical compound that belongs to the indole class of organic compounds. It is characterized by a butyl group attached to an indole ring, with additional methyl groups and a carboxylic acid functional group. (1-butyl-2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-3-yl)acetic acid has potential therapeutic applications and may be used in research and drug development. Its precise biological activity and function are not well-documented, but it has the potential to interact with cellular receptors and enzymes, influencing various physiological processes. However, further research is needed to fully understand the properties and potential uses of (1-butyl-2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-3-yl)acetic acid.

Upstream product

• 426824-19-3 2-(1-acetyl-3,3,3-trichloropropyl)-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one 
• 126-81-8 dimedone 
• 56686-56-7 3,5,5,5-tetrachloro-2-pentanone 
• 108-24-7 acetic anhydride 
• 109-73-9 N-butylamine 
• 110-16-7 maleic acid 
• 426823-97-4 1-butyl-2,6,6-trimethyl-3-(2,2,2-trichloro-ethyl)-1,5,6,7-tetrahydro-indol-4-one 
• 93647-07-5 β-acetyl-2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexene-1-propionic acid 

Relevant articles and documents

Crystal and molecular structure of synthetic antidiabetic compound: Derivatives of tetrahydro indoles-(1 -N -butyl-2,6,6'-trimethyl-4-oxo-4,5,6,7-tetrahydro-3 indole acetic acid) and modeling studies

The crystal and molecular structure of (1-n-butyl-2,6,6'-trimethyl-4-oxo - 4,5,6,7 - tetrahydro - 3 indole acetic acid) with desirable anti hyperglycemic properties is reported. The title compound crystallises in orthorhombic space group Pbca with z =8. The unit cell dimensions are a=15.698(13)A, b= 11.639(2)A, c = 18.506(3)A, V =3381.2(29)A3, Dcal = 1.145Mg/m3. The cyclohexane ring adopts a sofa conformation. The structure is stabilized by C-H---O and O-H---O hydrogen bonds. Molecular modeling studies on this class of compounds and the classical antidiabetic agent tolbutamide reveal a structural basis for the similar biological activity exhibited by two totally structurally unrelated compounds.

Synthesis and oral hypoglycemic properties of two 4-oxo-4,5,6,7-tetrahydroindole-3-acetic acids

Condensation of β-acetyl-2-hydroxy-4,4-dimethyl-6-oxo-1- cyclohexene-1-propionic acid (3) with n-butyl and isobutylamines affords the title acids 4 and 5, respectively, which show good oral hypoglycemic activity in normal rats. Acids 4 and 5, are also active in streptozocin-induced diabetic rats. Results of extensive pharmacological and acute toxicity tests are reported.