7-chloro-1-methyl-1H-indole-2,3-dione

Base Information

• Chemical Name: 7-chloro-1-methyl-1H-indole-2,3-dione
• CAS No.: 63220-48-4
• Molecular Formula: C9H6ClNO2
• Molecular Weight: 195.605
• Hs Code.: 2933990090
• European Community (EC) Number: 802-024-4
• ChEMBL ID: CHEMBL2228475
• DSSTox Substance ID: DTXSID90474357
• Nikkaji Number: J3.114.369A
• Wikidata: Q82304336
• Mol file: 63220-48-4.mol

Synonyms:7-chloro-1-methyl-1H-indole-2,3-dione;63220-48-4;7-chloro-1-methylindoline-2,3-dione;7-chloro-1-methylindole-2,3-dione;7-chloro-1-methyl-2,3-dihydro-1H-indole-2,3-dione;SCHEMBL3775352;CHEMBL2228475;DTXSID90474357;MFCD08755446;AKOS002668927;SB65315;EN300-238244;F2141-1293;Z808196196

Chemical Property of 7-chloro-1-methyl-1H-indole-2,3-dione

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 324.953oC at 760 mmHg
• Flash Point: 150.327oC
• PSA: 37.38000
• Density: 1.454g/cm3
• LogP: 1.56410
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 195.0087061
• Heavy Atom Count: 13
• Complexity: 266

Purity/Quality:

NLT 98% ^*data from raw suppliers

7-Chloro-1-methyl-1H-indole-2,3-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN1C2=C(C=CC=C2Cl)C(=O)C1=O

Technology Process of 7-chloro-1-methyl-1H-indole-2,3-dione

There total 14 articles about 7-chloro-1-methyl-1H-indole-2,3-dione 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: 93.0%

7-chloro-1-methyl-1H-indole (620175-78-2) → 7-chloro-1-methylindoline-2,3-dione (63220-48-4)

Guidance literature:

With C₇H₄IO₇S^(1-)*K⁽¹⁺⁾; sodium iodide; In water; dimethyl sulfoxide; at 60 ℃; for 16h;

DOI:10.1055/s-0034-1380517

Reference yield: 76.0%

7-chloroisatin (7477-63-6) + methyl iodide (74-88-4) → 7-chloro-1-methylindoline-2,3-dione (63220-48-4)

Guidance literature:

7-chloroisatin; With sodium hydride; In N,N-dimethyl-formamide; at 0 ℃; for 0.0833333h; Inert atmosphere;

methyl iodide; In N,N-dimethyl-formamide; at 20 ℃; for 16h; Inert atmosphere;

DOI:10.1039/c6cc08996h

Reference yield: 76.0%

7-chloroisatin (7477-63-6) + dimethyl sulfate (77-78-1) → 7-chloro-1-methylindoline-2,3-dione (63220-48-4)

Guidance literature:

With sodium carbonate; In acetone; at 60 ℃;

DOI:10.1021/jm060314i

upstream raw materials:

7-chloroisatin

dimethyl sulfate

(E)-N-(2-chlorophenyl)-2-(oxime)acetamide

o-chloroaniline

Downstream raw materials:

7-chloro-3-hydroxy-1-methyl-3-phenylindolin-2-one

C₂₂H₂₁ClN₂O₆

C₁₅H₁₁ClN₂O₂

(2S,5S)-dibenzhydryl 7'-chloro-1'-methyl-2'-oxo-5-vinyl-4,5-dihydro-3H-spiro[furan-2,3'-indoline]-3,3-dicarboxylate