5-Bromo-3-hydroxy-2-indolinone

Base Information

• Chemical Name: 5-Bromo-3-hydroxy-2-indolinone
• CAS No.: 99304-37-7
• Molecular Formula: C8H6 Br N O2
• Molecular Weight: 228.045
• Hs Code.: 2933790090
• European Community (EC) Number: 677-484-0
• DSSTox Substance ID: DTXSID90384442
• Mol file: 99304-37-7.mol

Synonyms:5-Bromo-3-hydroxy-2-indolinone;99304-37-7;5-bromo-3-hydroxyindolin-2-one;5-Bromo-3-hydroxyoxindole;5-bromo-3-hydroxy-1,3-dihydroindol-2-one;5-bromo-3-hydroxy-1,3-dihydro-2H-indol-2-one;5-bromo-3-hydroxy-2,3-dihydro-1H-indol-2-one;CDS1_000652;Maybridge1_002940;Oprea1_451783;Oprea1_804317;DivK1c_001692;SCHEMBL14438188;HMS549N14;DTXSID90384442;MLPDUEVGLOZRJI-UHFFFAOYSA-N;MFCD00052491;STL240920;AKOS000249690;CCG-242701;SB65944;CS-0247850;EU-0008721;FT-0620116;EN300-374750;BRD-A01302046-001-01-0;F0918-1258;Z235447292

Chemical Property of 5-Bromo-3-hydroxy-2-indolinone

Chemical Property:

• Vapor Pressure: 4.49E-07mmHg at 25°C
• Melting Point: 203-205°C
• Boiling Point: 398.8°Cat760mmHg
• Flash Point: 195°C
• PSA: 49.33000
• Density: 1.835g/cm³
• LogP: 1.57260
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 226.95819
• Heavy Atom Count: 12
• Complexity: 209

Purity/Quality:

98%Min ^*data from raw suppliers

5-Bromo-3-hydroxy-2-indolinone ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1Br)C(C(=O)N2)O

Technology Process of 5-Bromo-3-hydroxy-2-indolinone

There total 1 articles about 5-Bromo-3-hydroxy-2-indolinone 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:

5-bromo-1H-indole (10075-50-0) → 5-bromo-2-indolin-2-one (20870-78-4) + 5-bromo-3-oxindolenine (1610056-03-5) + N-(4-bromo-2-formylphenyl)formamide (229009-25-0) + 5-Bromo-1H-indole-2,3-dione (87-48-9) + 5-bromo-3-hydroxyindolin-2-one (99304-37-7) + (E)-5,5′-dibromo-[2,2′-biindolinylidene]-3,3'-dione (84-40-2)

Guidance literature:

With ferric WT dehaloperoxidase hemoglobin B; dihydrogen peroxide; In methanol; aq. phosphate buffer; at 25 ℃; for 0.0833333h; pH=7; Reagent/catalyst; pH-value; Kinetics; Inert atmosphere; Glovebox; Enzymatic reaction;

DOI:10.1021/ja500293c

Reference yield: 70.0%

5-bromo-3-hydroxyindolin-2-one (99304-37-7) + acetyl chloride (75-36-5) → 5-bromo-2-oxoindolin-3-yl acetate (99304-36-6)

Guidance literature:

With pyridine; at 0 - 5 ℃;

DOI:10.1007/BF00767830

Reference yield:

5-bromo-3-hydroxyindolin-2-one (99304-37-7) + 3-phenyl-propenal (104-55-2) → C17H14BrNO3 + C17H14BrNO3

Guidance literature:

With (2S)-2-{diphenyl[(trimethylsilyl)oxy]methyl}pyrrolidine; o-fluoro-benzoic acid; In acetone; at 25 ℃; for 16h; optical yield given as %ee;

DOI:10.1002/anie.201107443

upstream raw materials:

5-bromo-1H-indole

Downstream raw materials:

5-bromo-2-oxoindolin-3-yl acetate

5-Bromo-N,O-dibutyryldioxindole

5-Bromo-N,O-dipropionyldioxindole