3-bromo-1-methylquinolin-2(1H)-one

Base Information

• Chemical Name: 3-bromo-1-methylquinolin-2(1H)-one
• CAS No.: 941-91-3
• Molecular Formula: C10H8BrNO
• Molecular Weight: 238.084
• Hs Code.: 2933790090
• NSC Number: 108475
• DSSTox Substance ID: DTXSID10296250
• Nikkaji Number: J679.680J
• Wikidata: Q82036742
• Mol file: 941-91-3.mol

Synonyms:3-bromo-1-methylquinolin-2(1H)-one;941-91-3;3-BROMO-1-METHYL-1H-QUINOLIN-2-ONE;3-bromo-1-methylquinolin-2-one;3-bromo-1-methyl-1,2-dihydroquinolin-2-one;2(1H)-Quinolinone, 3-bromo-1-methyl-;NSC108475;SCHEMBL1421868;3-bromo-1-methyl-2-quinolinone;DTXSID10296250;FSLMLEUYCWVPBN-UHFFFAOYSA-N;3-bromanyl-1-methyl-quinolin-2-one;MFCD00234612;AKOS015961652;N-Methyl-3-bromo-2(1H)-quinolinone;CS-W020422;NSC-108475;SB40106;2(1H)-Quinolinone,3-bromo-1-methyl-;3-bromo-1-methylquinolin-2(1 H)-one;BS-36523;FT-0648786;D77883;EN300-2932703;A845332

Chemical Property of 3-bromo-1-methylquinolin-2(1H)-one

Chemical Property:

• Vapor Pressure: 0.00119mmHg at 25°C
• Melting Point: 147-149 °C
• Refractive Index: 1.645
• Boiling Point: 299.5 °C at 760 mmHg
• PKA: -1.31±0.40(Predicted)
• Flash Point: 134.9 °C
• PSA: 22.00000
• Density: 1.592 g/cm³
• LogP: 2.30100
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 236.97893
• Heavy Atom Count: 13
• Complexity: 262

Purity/Quality:

97% ^*data from raw suppliers

3-Bromo-1-methyl-1H-quinolin-2-one 96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=CC=CC=C2C=C(C1=O)Br

Technology Process of 3-bromo-1-methylquinolin-2(1H)-one

There total 14 articles about 3-bromo-1-methylquinolin-2(1H)-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: 96.0%

3-bromoquinolin-2-one (939-16-2) + methyl iodide (74-88-4) → 3-bromo-1-methylquinolin-2(1H)-one (941-91-3)

Guidance literature:

With potassium hydroxide; In methanol; at 20 ℃; for 3h;

DOI:10.1016/j.tet.2008.01.060

Reference yield: 65.0%

3-bromo-1-methylquinolin-1-ium trifluoromethanesulfonate → 1-methyl-2-quinolin-2(1H)-one (606-43-9) + 3-bromo-1-methylquinolin-2(1H)-one (941-91-3)

Guidance literature:

With Dimethyl phosphite; potassium hydroxide; In acetonitrile; at 0 - 35 ℃; Sealed tube;

DOI:10.1039/c8ob01032c

Reference yield:

3-Bromcarbostyril (939-16-2) + methyl iodide (74-88-4) → 3-bromo-1-methylquinolin-2(1H)-one (941-91-3)

Guidance literature:

With potassium carbonate; In water; N,N-dimethyl-formamide; at 20 ℃; for 16h;

upstream raw materials:

3-bromoquinolin-2-one

methyl iodide

3-bromoquinoline N-oxide

1-methyl-3-bromoquinolinium iodide

Downstream raw materials:

neocryptolepine

1-methyl-3-(o-aminophenyl)-1H-quinoline-2-one

3-[(2-bromophenyl)amino]-1-methylquinolin-2(1H)-one