1H-Indol-3-yl butyrate

Base Information

• Chemical Name: 1H-Indol-3-yl butyrate
• CAS No.: 4346-15-0
• Molecular Formula: C12H13NO2
• Molecular Weight: 203.241
• Hs Code.: 2933990090
• European Community (EC) Number: 224-404-3
• UNII: ADF524U6R4
• DSSTox Substance ID: DTXSID70195856
• Nikkaji Number: J205.722K
• Wikidata: Q83068913
• Mol file: 4346-15-0.mol

Synonyms:indoxyl butyrate

Chemical Property of 1H-Indol-3-yl butyrate

Chemical Property:

• Appearance/Colour: Pale beige crystals
• Vapor Pressure: 7.45E-10mmHg at 25°C
• Melting Point: 91-95 °C
• Boiling Point: 360.1 °C at 760 mmHg
• Flash Point: 171.6 °C
• PSA: 42.09000
• Density: 1.178 g/cm³
• LogP: 2.87340
• Storage Temp.: Store at 0°C
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 203.094628657
• Heavy Atom Count: 15
• Complexity: 230

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-IndoxylButyrate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)OC1=CNC2=CC=CC=C21
• Uses: 3-Indoxyl Butyrate is a chromogenic substrate for CES (carboxylesterase), producing a blue precipitate upon cleavage.

Technology Process of 1H-Indol-3-yl butyrate

There total 1 articles about 1H-Indol-3-yl butyrate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

butanoic acid anhydride (106-31-0) + indoxyl (480-93-3) → butyric acid indol-3-yl ester (4346-15-0)

Guidance literature:

With sulfuric acid; water; Indoxyl ist in alkal.wss.Loesung_.;

upstream raw materials:

butanoic acid anhydride

indoxyl