4-Fluoro-7-methylisatin

Base Information

• Chemical Name: 4-Fluoro-7-methylisatin
• CAS No.: 668-24-6
• Molecular Formula: C9H6FNO2
• Molecular Weight: 179.151
• Hs Code.: 2933990090
• European Community (EC) Number: 872-863-9
• DSSTox Substance ID: DTXSID00588555
• Wikidata: Q82481294
• Mol file: 668-24-6.mol

Synonyms:4-fluoro-7-methylisatin;668-24-6;4-Fluoro-7-methyl isatin;4-fluoro-7-methylindoline-2,3-dione;4-fluoro-7-methyl-1h-indole-2,3-dione;4-fluoro-7-methyl-2,3-dihydro-1H-indole-2,3-dione;MFCD06409071;1H-Indole-2,3-dione, 4-fluoro-7-methyl-;SCHEMBL3334809;DTXSID00588555;GMOIUCVMHIKMDC-UHFFFAOYSA-N;AKOS000145630;SB64162;AS-31237;SY021966;4-fluoranyl-7-methyl-1H-indole-2,3-dione;CS-0251285;EN300-54239;A835554;J-515392;Z247609740

Chemical Property of 4-Fluoro-7-methylisatin

Chemical Property:

• Refractive Index: 1.573
• PSA: 46.17000
• Density: 1.399g/cm³
• LogP: 1.40690
• Storage Temp.: 2-8°C
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 179.03825660
• Heavy Atom Count: 13
• Complexity: 266

Purity/Quality:

98%min ^*data from raw suppliers

4-Fluoro-7-methylisatin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C(=C(C=C1)F)C(=O)C(=O)N2

Technology Process of 4-Fluoro-7-methylisatin

There total 4 articles about 4-Fluoro-7-methylisatin 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:

(2E)-N-(5-fluoro-2-methylphenyl)-2-hydroxyiminoacetamide → 4-fluoro-7-methylindoline-2,3-dione (668-24-6)

Guidance literature:

With sulfuric acid; at 85 ℃; for 8h; Inert atmosphere;

DOI:10.1016/j.bmc.2015.11.035

Reference yield:

(Z)-N-(5-fluoro-2-methylphenyl)-2-(hydroxyimino)acetamide → 4-fluoro-7-methylindoline-2,3-dione (668-24-6)

Guidance literature:

With sulfuric acid; at 60 ℃; for 1h;

Reference yield:

3-fluoro-6-methylaniline (367-29-3) → 4-fluoro-7-methylindoline-2,3-dione (668-24-6)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogenchloride; sodium sulfate; hydroxylamine hydrochloride / water / 3 h / 80 °C / Inert atmosphere

2: sulfuric acid / 8 h / 85 °C / Inert atmosphere

With hydrogenchloride; sulfuric acid; hydroxylamine hydrochloride; sodium sulfate; In water;

DOI:10.1016/j.bmc.2015.11.035

upstream raw materials:

3-fluoro-6-methylaniline

Downstream raw materials:

2-amino-6-fluoro-3-methylbenzoic acid

Refernces

• 1、 -. "DIFLUOROPYRROLIDINES AS OREXIN RECEPTOR MODULATORS". . . Retrieved 2016/02/29.