5-bromo-6-fluoro-1H-indole-2,3-dione

Base Information

• Chemical Name: 5-bromo-6-fluoro-1H-indole-2,3-dione
• CAS No.: 118897-99-7
• Molecular Formula: C8H3BrFNO2
• Molecular Weight: 244.02
• European Community (EC) Number: 890-486-8
• DSSTox Substance ID: DTXSID30588442
• Wikidata: Q82481110
• Mol file: 118897-99-7.mol

Synonyms:118897-99-7;5-Bromo-6-fluoroindoline-2,3-dione;5-bromo-6-fluoro-1H-indole-2,3-dione;Isatin, 5-bromo-6-fluoro-;MFCD06409070;5-bromo-6-fluoroIsatin;1H-Indole-2,3-dione, 5-bromo-6-fluoro-;5-bromo-6-fluoro-2,3-dihydro-1H-indole-2,3-dione;SCHEMBL1588346;DTXSID30588442;LNXMNYMNZYJVFX-UHFFFAOYSA-N;CS-D0112;5-bromo-6-fluoro-indoline-2,3-dione;AKOS000141913;AM81136;MCULE-4317036347;SB64160;AS-42091;SY176090;DB-061428;EN300-37160;AB01003221-01;A892804;J-003904;Z316119678

Chemical Property of 5-bromo-6-fluoro-1H-indole-2,3-dione

Chemical Property:

• PSA: 49.66000
• LogP: -0.15020
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 242.93312
• Heavy Atom Count: 13
• Complexity: 271

Purity/Quality:

97% ^*data from raw suppliers

5-Bromo-6-fluoro-1H-indole-2,3-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C2C(=CC(=C1Br)F)NC(=O)C2=O

Technology Process of 5-bromo-6-fluoro-1H-indole-2,3-dione

There total 3 articles about 5-bromo-6-fluoro-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: 83.0%

chloral ethyl hemiacetal (515-83-3) + 3-fluoro-4-bromophenylamine (656-65-5) → 5‐bromo‐6‐fluoro‐1H‐indole‐2,3‐dione (118897-99-7)

Guidance literature:

chloral ethyl hemiacetal; 3-fluoro-4-bromophenylamine; With hydrogenchloride; hydroxylamine hydrochloride; sodium sulfate; In water; at 55 ℃; for 20h;

With sulfuric acid; at 60 - 80 ℃; for 0.333333h;

Reference yield:

(E)-N-(4-bromo-3-fluorophenyl)-2-(oximido)acetamide (777-65-1) → 5‐bromo‐6‐fluoro‐1H‐indole‐2,3‐dione (118897-99-7)

Guidance literature:

With sulfuric acid;

DOI:10.1021/jo01106a010

Reference yield:

3-fluoro-4-bromophenylamine (656-65-5) → 5‐bromo‐6‐fluoro‐1H‐indole‐2,3‐dione (118897-99-7)

Guidance literature:

Multi-step reaction with 2 steps

1: NH₂OH+HCl

2: sulfuric acid

With hydrogenchloride; sulfuric acid; hydroxylamine;

DOI:10.1021/jo01106a010

upstream raw materials:

(E)-N-(4-bromo-3-fluorophenyl)-2-(oximido)acetamide

3-fluoro-4-bromophenylamine

chloral ethyl hemiacetal

Downstream raw materials:

5-bromo-6-fluoro-1H-indazole-3-carboxylic acid

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