6-Carboxyoxindole

Base Information

• Chemical Name: 6-Carboxyoxindole
• CAS No.: 334952-09-9
• Molecular Formula: C9H7NO3
• Molecular Weight: 177.159
• Hs Code.: 2933790090
• European Community (EC) Number: 857-303-3
• DSSTox Substance ID: DTXSID90428451
• Nikkaji Number: J2.811.574A
• Wikidata: Q72498802
• Mol file: 334952-09-9.mol

Synonyms:334952-09-9;6-Carboxyoxindole;2-oxoindoline-6-carboxylic acid;2-Oxo-2,3-dihydro-1H-indole-6-carboxylic acid;2-Oxo-indoline-6-carboxylic Acid;2-oxo-1,3-dihydroindole-6-carboxylic Acid;1H-Indole-6-carboxylic acid, 2,3-dihydro-2-oxo-;2-OXINDOLE-6-CARBOXYLIC ACID;MFCD01415801;SCHEMBL398818;2-oxoindoline-6-carboxylicacid;2-indolinone-6-carboxylic acid;DTXSID90428451;IIKVTJWRBSYRSA-UHFFFAOYSA-N;AMY13655;AKOS006227914;AC-3294;PB19919;DS-16945;SY004611;CS-0011494;FT-0656510;EN300-104722;P10183;A821796;2-oxidanylidene-1,3-dihydroindole-6-carboxylic acid;Q-102620;2-Oxo-2,3-dihydro-1H-indole-6-carboxylic acid, AldrichCPR

Chemical Property of 6-Carboxyoxindole

Chemical Property:

• Vapor Pressure: 1.89E-08mmHg at 25°C
• Refractive Index: 1.634
• Boiling Point: 438.1 °C at 760 mmHg
• PKA: 3.94±0.20(Predicted)
• Flash Point: 218.8 °C
• PSA: 66.40000
• Density: 1.433 g/cm³
• LogP: 1.01740
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.7
• 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:

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

6-Carboxyoxindole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2=C(C=C(C=C2)C(=O)O)NC1=O

Technology Process of 6-Carboxyoxindole

There total 12 articles about 6-Carboxyoxindole 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: 69.0%

2-oxo-2,3-dihydro-1H-indole-6-carboxylic acid methyl ester (14192-26-8) → 2-Oxo-2,3-dihydro-1H-indole-6-carboxylic acid (334952-09-9)

Guidance literature:

With sodium hydroxide; In methanol; at 80 ℃; for 2h;

Reference yield: 69.0%

2,3-dicarbonylindolone-6-carboxylic acid (101870-10-4) → 2-Oxo-2,3-dihydro-1H-indole-6-carboxylic acid (334952-09-9)

Guidance literature:

With hydrazine hydrate; In methanol; at 60 ℃; for 4h;

Reference yield:

2-(4-carboxy-2-nitrophenyl)-acetic acid (444667-11-2) → 2-Oxo-2,3-dihydro-1H-indole-6-carboxylic acid (334952-09-9)

Guidance literature:

With ammonia; iron(II) sulfate;

upstream raw materials:

2-(4-carboxy-2-nitrophenyl)-acetic acid

4-(carboxymethyl)benzoic acid

2-oxo-2,3-dihydro-1H-indole-6-carboxylic acid methyl ester

2-oxo-2,3-dihydro-1H-indole-6-carboxylic acid ethyl ester

Downstream raw materials:

N-(1-(7-(3,4-dimethoxyphenylamino)thiazolo[5,4-d]pyrimidin-5-yl)pyrrolidin-3-yl)-2-oxoindoline-6-carboxamide

Refernces

• 1、 -. "OXINDOLE INHIBITORS OF TYROSINE KINASE". Paragraph 0215; 0216. . Retrieved 2015/11/02.
• 2、 Cao, Jingrong,Gao, Huai,Bemis, Guy,Salituro, Francesco,Ledeboer, Mark,Harrington, Edmund,Wilke, Susanne,Taslimi, Paul,Pazhanisamy,Xie, Xiaoling,Jacobs, Marc,Green, Jeremy. "Structure-based design and parallel synthesis of N-benzyl isatin oximes as JNK3 MAP kinase inhibitors". scheme or table. p. 2891 - 2895. Retrieved 2010/01/16.