3-[5(n)-3H]Indolylacetic acid

Base Information

• Chemical Name: 3-[5(n)-3H]Indolylacetic acid
• CAS No.: 82462-44-0
• Molecular Formula: C₁₀H₉NO₂
• Molecular Weight: 177.179
• DSSTox Substance ID: DTXSID30349631
• Wikidata: Q82125039
• Mol file: 82462-44-0.mol

Synonyms:82462-44-0;3-[5(n)-3H]Indolylacetic acid;DTXSID30349631;1H-indole-3[5(n)-3H]-acetic acid;1H-Indole-5-t-3-acetic acid (9CI);[(6-~3~H)-1H-Indol-3-yl]acetic acid

Chemical Property of 3-[5(n)-3H]Indolylacetic acid

Chemical Property:

• Vapor Pressure: 1.24E-07mmHg at 25°C
• Boiling Point: 415°Cat760mmHg
• Flash Point: 204.8°C
• PSA: 53.09000
• Density: g/cm³
• LogP: 1.79500
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 177.071552779
• Heavy Atom Count: 13
• Complexity: 205

Purity/Quality:

99% ^*data from raw suppliers

INDOLE-3-ACETIC ACID[5-3H] 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=CN2)CC(=O)O
• Isomeric SMILES: [3H]C1=CC=C2C(=C1)NC=C2CC(=O)O

Technology Process of 3-[5(n)-3H]Indolylacetic acid

There total 1 articles about 3-[5(n)-3H]Indolylacetic acid 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: 95.0%

(5-bromo-1H-indol-3-yl)-acetic acid (40432-84-6) → <5-n-(3)H>indol-3-ylacetic acid (82462-44-0)

Guidance literature:

With potassium hydroxide; tritium; hydrogen; palladium on activated charcoal; In water; for 2h; Ambient temperature;

DOI:10.1016/0031-9422(80)85060-6

upstream raw materials:

(5-bromo-1H-indol-3-yl)-acetic acid

Refernces