(2-oxo-2,3-dihydro-1H-indol-3-yl)acetic acid

Base Information

• Chemical Name: (2-oxo-2,3-dihydro-1H-indol-3-yl)acetic acid
• CAS No.: 2971-31-5
• Molecular Formula: C₁₀H₉NO₃
• Molecular Weight: 191.186
• Hs Code.: 2933790090
• DSSTox Substance ID: DTXSID30952164
• Nikkaji Number: J842.352K
• Wikidata: Q82930683
• Metabolomics Workbench ID: 87119
• ChEMBL ID: CHEMBL443641
• Mol file: 2971-31-5.mol

Synonyms:2-oxindole-3-acetic acid

Chemical Property of (2-oxo-2,3-dihydro-1H-indol-3-yl)acetic acid

Chemical Property:

• Vapor Pressure: 1.05E-08mmHg at 25°C
• Melting Point: 218-219 °C
• Refractive Index: 1.587
• Boiling Point: 445.2 °C at 760 mmHg
• PKA: 4.21±0.10(Predicted)
• Flash Point: 223 °C
• PSA: 66.40000
• Density: 1.334 g/cm³
• LogP: 1.33500
• Storage Temp.: Sealed in dry,Store in freezer, under -20°C
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 191.058243149
• Heavy Atom Count: 14
• Complexity: 264

Purity/Quality:

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

Oxindole-3-aceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(C(=O)N2)CC(=O)O
• Uses: Oxindole-3-acetic Acid is a derivative of Indoleacetic Acid (I577340) is the most common and naturally occurring plant hormone in the auxin class of hormones. It effects cell elongation, cell division as well as plant growth and development.

Technology Process of (2-oxo-2,3-dihydro-1H-indol-3-yl)acetic acid

There total 1 articles about (2-oxo-2,3-dihydro-1H-indol-3-yl)acetic 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:

indole-3-acetic acid (87-51-4) → 2,3-dihydro-2-oxo-1H-indole-3-acetic acid (2971-31-5) + N-(2-acetylphenyl)formamide (5257-06-7) + (3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)-acetic acid

Guidance literature:

In water; Product distribution; oxidazing enzyme from rice husk;

DOI:10.3987/COM-97-S(N)12

Reference yield: 83.0%

methanol (67-56-1) + 2,3-dihydro-2-oxo-1H-indole-3-acetic acid (2971-31-5) → 2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxylic acid methyl ester (78941-89-6) + methyl 2-(2-oxo-3-indolinyl)acetate (61989-29-5)

Guidance literature:

In hydrogenchloride; at 20 ℃; for 30h;

DOI:10.3987/COM-06-10759

Reference yield:

2,3-dihydro-2-oxo-1H-indole-3-acetic acid (2971-31-5) + L-phenylalanine tert-butyl ester hydrochloride (15100-75-1,75898-47-4) → C23H26O4N2

Guidance literature:

With dmap; dicyclohexyl-carbodiimide; In pyridine; at 20 ℃;

DOI:10.1016/j.phytochem.2007.04.030

upstream raw materials:

indole-3-acetic acid

Downstream raw materials:

2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxylic acid methyl ester

methyl 2-(2-oxo-3-indolinyl)acetate

Refernces