2-Oxoindoline-4-carboxylic acid

Base Information

• Chemical Name: 2-Oxoindoline-4-carboxylic acid
• CAS No.: 90322-37-5
• Molecular Formula: C9H7 N O3
• Molecular Weight: 177.159
• Hs Code.: 2933790090
• DSSTox Substance ID: DTXSID60439190
• Wikidata: Q72498804
• Mol file: 90322-37-5.mol

Synonyms:2-Oxoindoline-4-carboxylic acid;90322-37-5;2-OXO-INDOLINE-4-CARBOXYLIC ACID;2-oxo-1,3-dihydroindole-4-carboxylic Acid;1H-Indole-4-carboxylic acid, 2,3-dihydro-2-oxo-;2-OXO-2,3-DIHYDRO-1H-INDOLE-4-CARBOXYLIC ACID;MFCD10000702;4-CARBOXY-2-OXINDOLE;2-Oxoindoline-4-carboxylicacid;SCHEMBL4407214;AMY7564;DTXSID60439190;ALXJUSWINGKGAW-UHFFFAOYSA-N;AKOS006302173;CS-W005745;FS-3568;PB28115;AC-27820;SY105640;FT-0735606;EN300-223399;A860843;Q-102627;Z1198272458

Chemical Property of 2-Oxoindoline-4-carboxylic acid

Chemical Property:

• Boiling Point: 444.2±45.0 °C(Predicted)
• PKA: 3.63±0.20(Predicted)
• PSA: 66.40000
• Density: 1.433
• LogP: 1.01740
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 177.042593085
• Heavy Atom Count: 13
• Complexity: 251

Purity/Quality:

97% ^*data from raw suppliers

2-Oxoindoline-4-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2=C(C=CC=C2NC1=O)C(=O)O

Technology Process of 2-Oxoindoline-4-carboxylic acid

There total 8 articles about 2-Oxoindoline-4-carboxylic 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: 61.0%

2-oxo-2,3-dihydro-1H-indole-4-carboxylic acid methyl ester (90924-46-2) → 2-oxo-2,3-dihydro-1H-indole-4-carboxylic acid (90322-37-5)

Guidance literature:

With water; lithium hydroxide; In tetrahydrofuran; methanol; at 25 ℃; Inert atmosphere;

Reference yield: 37.0%

dimethyl 2-methoxycarbonyl-6-nitrophenyl-malonate (215433-30-0) → 2-oxo-2,3-dihydro-1H-indole-4-carboxylic acid (90322-37-5)

Guidance literature:

dimethyl 2-methoxycarbonyl-6-nitrophenyl-malonate; With hydrogenchloride; In water; Heating / reflux;

With tin(ll) chloride; In ethanol; for 2h; Heating / reflux;

Reference yield: 37.0%

dimethyl 2-methoxycarbonyl-6-nitrophenyl-malonate (215433-30-0) + tin (11) chloride + 2-chloro-3-nitrobenzoic acid methyl ester (53553-14-3) + 2-chloro-3-nitrobezoic acid (3970-35-2) + malonic acid dimethyl ester (108-59-8) + diazomethyl-trimethyl-silane (18107-18-1) → 2-oxo-2,3-dihydro-1H-indole-4-carboxylic acid (90322-37-5)

Guidance literature:

In hydrogenchloride; methanol; ethanol; hexane; dimethyl sulfoxide; ethyl acetate;

upstream raw materials:

dimethyl 2-methoxycarbonyl-6-nitrophenyl-malonate

stannous chloride

2-chloro-3-nitrobenzoic acid methyl ester

2-chloro-3-nitrobezoic acid

Downstream raw materials:

2-Oxo-2,3-Dihydro-1H-Indole-4-Carboxylic Acid (3-Chloro-4-Ethoxyphenyl)-Amide