5-Bromo-3-(2-oxo-2-phenylethylidene)indolin-2-one

Base Information

• Chemical Name: 5-Bromo-3-(2-oxo-2-phenylethylidene)indolin-2-one
• CAS No.: 70452-30-1
• Molecular Formula: C16H10BrNO2
• Molecular Weight: 328.165
• NSC Number: 294961
• Pharos Ligand ID: 3QCMHC1ZYMX6
• ChEMBL ID: CHEMBL363491
• Mol file: 70452-30-1.mol

Synonyms:MLS002702136;CHEMBL363491;NSC294961;70452-30-1;5-bromo-3-(2-oxo-2-phenylethylidene)indolin-2-one;3-Phenacyliden-5-brom-2-indolinon;cid_5477132;BDBM50154618;CCG-35540;AKOS024363377;NSC-294961;PD011845;SMR001565701;2H-Indol-2-one,3-dihydro-3-(2-oxo-2-phenylethylidene)-;5-Bromo-3-(2-oxo-2-phenyl-ethylidene)-1,3-dihydro-indol-2-one;5-Bromo-3-(2-oxo-2-phenylethylidene)- 1,3-dihydroindol-2-one

Chemical Property of 5-Bromo-3-(2-oxo-2-phenylethylidene)indolin-2-one

Chemical Property:

• Vapor Pressure: 1.28E-10mmHg at 25°C
• Boiling Point: 512.6°Cat760mmHg
• Flash Point: 263.8°C
• Density: 1.609g/cm³
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 326.98949
• Heavy Atom Count: 20
• Complexity: 440

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C=C2C3=C(C=CC(=C3)Br)NC2=O
• Isomeric SMILES: C1=CC=C(C=C1)C(=O)/C=C\2/C3=C(C=CC(=C3)Br)NC2=O

Technology Process of 5-Bromo-3-(2-oxo-2-phenylethylidene)indolin-2-one

There total 6 articles about 5-Bromo-3-(2-oxo-2-phenylethylidene)indolin-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: 96.0%

5-Bromo-1H-indole-2,3-dione (87-48-9) + acetophenone (98-86-2) → 5-bromo-3-(2-oxo-2-phenylethylidene)indolin-2-one (70452-30-1)

Guidance literature:

at 120 ℃; for 0.15h;

DOI:10.1002/jhet.3424

Reference yield: 95.0%

5-bromo-3-hydroxy-3-(2-oxo-2-phenylethyl)indolin-2-one (70452-19-6) → 5-bromo-3-(2-oxo-2-phenylethylidene)indolin-2-one (70452-30-1)

Guidance literature:

at 100 ℃; for 0.15h; Green chemistry;

DOI:10.1002/jhet.3424

Reference yield:

5-Bromo-1H-indole-2,3-dione (87-48-9) + (Benzoylmethylene)triphenylphosphorane (20913-05-7,859-65-4) → 5-bromo-3-(2-oxo-2-phenylethylidene)indolin-2-one (70452-30-1) + Triphenylphosphine oxide (791-28-6)

Guidance literature:

In methanol; for 0.333333h;

DOI:10.1002/hlca.201000419

upstream raw materials:

5-Bromo-1H-indole-2,3-dione

(Benzoylmethylene)triphenylphosphorane

acetophenone

5-bromo-3-hydroxy-3-(2-oxo-2-phenylethyl)indolin-2-one

Downstream raw materials:

C₁₆H₁₀BrNO₃

5-bromo-3'-(4-chlorobenzyl)-2',3'-dihydro-4'-phenyl-2'-thioxospiro[indole-3,6'-[1,3]thiazin]-2(1H)-

methyl (2-(4-benzoyl-1H-pyrrol-3-yl)-4-bromophenyl)carbamate

5-bromo-2-indolin-2-one