5,7-Dimethylisatin

Base Information

• Chemical Name: 5,7-Dimethylisatin
• CAS No.: 39603-24-2
• Molecular Formula: C10H9NO2
• Molecular Weight: 175.187
• Hs Code.: 29337900
• DSSTox Substance ID: DTXSID40192716
• Nikkaji Number: J62.672D
• Wikidata: Q72470695
• ChEMBL ID: CHEMBL333636
• Mol file: 39603-24-2.mol

Synonyms:5,7-Dimethylisatin;39603-24-2;5,7-Dimethylindoline-2,3-dione;5,7-Dimethyl-1H-indole-2,3-dione;1H-Indole-2,3-dione, 5,7-dimethyl-;5,7-Dimethyl-indole-2,3-dione;BRN 0143679;5,7-dimethyl-2,3-dihydro-1H-indole-2,3-dione;INDOLE-2,3-DIONE, 5,7-DIMETHYL-;MFCD00047219;1H-Indole-2,3-dione, 5,7-dimethyl- (9CI);Isatin-based compound, 48;CHEMBL333636;SCHEMBL1743529;BDBM22828;AMY3431;DTXSID40192716;BBL012192;STK501186;AKOS000200844;SB64025;5,7-Dimethyl-1H-indole-2,3-dione #;BP-20236;DS-16629;LS-83028;SY078910;CS-0037914;FT-0619851;EN300-16685;A824642;SR-01000550635;SR-01000550635-1;Z56755228;F0347-2071

Chemical Property of 5,7-Dimethylisatin

Chemical Property:

• Appearance/Colour: Red to red-brown powder
• Melting Point: 245 °C
• Refractive Index: 1.586
• Boiling Point: 306.47°C (rough estimate)
• PKA: 10.43±0.20(Predicted)
• PSA: 46.17000
• Density: 1.25 g/cm³
• LogP: 1.57620
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Insoluble in water.
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 175.063328530
• Heavy Atom Count: 13
• Complexity: 262

Purity/Quality:

98% ^*data from raw suppliers

5,7-Dimethylisatin ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: 24/25-22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C2C(=C1)C(=O)C(=O)N2)C
• Uses: 5,7-Dimethylisatin is used to produce cyano-(5,7-dimethyl-2-oxo-1,2-dihydro-indol-3-ylidene)-acetic acid ethyl ester by knoevenagel condensation with cyanoacetic acid ethyl ester. It is an important raw material and intermediate used in organic synthesis, pharmaceuticals and agrochemicals.

Technology Process of 5,7-Dimethylisatin

There total 3 articles about 5,7-Dimethylisatin 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:

2-benzoyloxy-5,7-dimethyl-indol-3-one → 5,7-dimethylisatin (39603-24-2) + benzoic acid (65-85-0,8013-63-6)

Guidance literature:

Reference yield:

2-benzoyloxy-5,7-dimethyl-indol-3-one → 5,7-dimethylisatin (39603-24-2) + benzoic acid (65-85-0,8013-63-6)

Guidance literature:

Reference yield:

2-benzoyloxy-5,7-dimethyl-indol-3-one + acetic acid (64-19-7,77671-22-8) → 5,7-dimethylisatin (39603-24-2) + benzoic acid (65-85-0,8013-63-6)

Guidance literature:

upstream raw materials:

acetic acid

Downstream raw materials:

5,7-dimethyl-1,2,3,4-tetrahydro-acridine-9-carboxylic acid

6,8-dimethyl-2-phenyl-quinoline-4-carboxylic acid

3,5-dimethylanthranilic acid

3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-ylimino)-5,7-dimethyl-1,3-dihydro-indol-2-one