4-Bromo-1-methylindolin-2-one

Base Information

• Chemical Name: 4-Bromo-1-methylindolin-2-one
• CAS No.: 884855-68-9
• Molecular Formula: C9H8BrNO
• Molecular Weight: 226.073
• Hs Code.: 2933790090
• European Community (EC) Number: 640-180-3
• DSSTox Substance ID: DTXSID00587482
• Nikkaji Number: J2.466.802I
• Wikidata: Q82479923
• Mol file: 884855-68-9.mol

Synonyms:4-Bromo-1-methylindolin-2-one;884855-68-9;4-BROMO-1-METHYL-2,3-DIHYDRO-1H-INDOL-2-ONE;4-bromo-1-methyl-3H-indol-2-one;4-Bromo-1-methyl-2-oxindole;MFCD10699229;4-Bromo-1,3-dihydro-1-methyl-2H-indol-2-one;SCHEMBL745354;4-bromo-1-methyl-indolin-2-one;DTXSID00587482;YYTXVBYHPIORNO-UHFFFAOYSA-N;AKOS015835478;PB19105;PS-4779;SY065502;DB-077314;CS-0172430;4-Bromo-1-methyl-1,3-dihydro-2H-indol-2-one;A842620;4-BROMO-1-METHYL-1,3-DIHYDRO-INDOL-2-ONE;J-514567

Chemical Property of 4-Bromo-1-methylindolin-2-one

Chemical Property:

• Vapor Pressure: 3.79E-07mmHg at 25°C
• Boiling Point: 416.5°C at 760 mmHg
• Flash Point: 205.7°C
• PSA: 20.31000
• Density: 1.589g/cm³
• LogP: 2.03300
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 224.97893
• Heavy Atom Count: 12
• Complexity: 207

Purity/Quality:

97% ^*data from raw suppliers

4-Bromo-1-methylindolin-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=O)CC2=C1C=CC=C2Br

Technology Process of 4-Bromo-1-methylindolin-2-one

There total 6 articles about 4-Bromo-1-methylindolin-2-one 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: 85.0%

4-bromoindolin-2-one (99365-48-7) + dimethyl sulfate (77-78-1) → 4-bromo-1-methyl-1,3-dihydro-2-oxindole (884855-68-9)

Guidance literature:

4-bromoindolin-2-one; With sodium hydride; In o-xylene; at 110 - 135 ℃; Inert atmosphere;

dimethyl sulfate; In o-xylene; for 1h; Inert atmosphere; Heating;

DOI:10.1021/ol902173g

Reference yield: 84.0%

N-methyl-2,6-dibromophenylacetamide (901310-01-8) → 4-bromo-1-methyl-1,3-dihydro-2-oxindole (884855-68-9)

Guidance literature:

With potassium carbonate; copper(l) chloride; In various solvent(s); at 85 ℃; for 2h;

DOI:10.1016/j.tetlet.2007.05.009

Reference yield: 80.0%

4-bromo-1-methylindoline-2,3-dione (884855-67-8) → 4-bromo-1-methyl-1,3-dihydro-2-oxindole (884855-68-9)

Guidance literature:

With hydrazine; at 20 - 130 ℃; for 1h;

upstream raw materials:

N-methyl-2,6-dibromophenylacetamide

4-bromo-1-methylindoline-2,3-dione

4-bromoindolin-2-one

dimethyl sulfate

Downstream raw materials:

8-methoxy-4-methylnaphtho[3,2,1-cd]indol-5(4H)-one