4-Amino-6-fluoroisoindolin-1-one

Base Information

• Chemical Name: 4-Amino-6-fluoroisoindolin-1-one
• CAS No.: 850462-63-4
• Molecular Formula: C8H7FN2O
• Molecular Weight: 166.155
• Hs Code.: 2933790090
• DSSTox Substance ID: DTXSID80591946
• Wikidata: Q82485816
• Mol file: 850462-63-4.mol

Synonyms:4-Amino-6-fluoroisoindolin-1-one;850462-63-4;1H-Isoindol-1-one, 4-amino-6-fluoro-2,3-dihydro-;4-Amino-6-fluoro-2,3-dihydroisoindol-1-one;4-Amino-6-fluoro-2,3-dihydro-1H-Isoindol-1-one;SCHEMBL3532428;DTXSID80591946;VNYPAFNRKZFPTD-UHFFFAOYSA-N;AKOS016006350;DB-349148;F17949;A863784

Chemical Property of 4-Amino-6-fluoroisoindolin-1-one

Chemical Property:

• PSA: 58.61000
• LogP: 1.24290
• Storage Temp.: 2-8°C
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 166.05424101
• Heavy Atom Count: 12
• Complexity: 209

Purity/Quality:

97% ^*data from raw suppliers

4-Amino-6-fluoroisoindolin-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2=C(C=C(C=C2N)F)C(=O)N1

Technology Process of 4-Amino-6-fluoroisoindolin-1-one

There total 1 articles about 4-Amino-6-fluoroisoindolin-1-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: 97.5%

2-(azidomethyl)-5-fluoro-3-nitrobenzoic acid methyl ester (850462-66-7) → 4-amino-6-fluoro-2,3-dihydroisoindol-1-one (850462-63-4)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; acetic acid; at 20 ℃;

Reference yield: 67.2%

rac-4-(5-chloro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)-pentanal (611231-40-4) + 4-amino-6-fluoro-2,3-dihydroisoindol-1-one (850462-63-4) → 4-{[4-(5-chloro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentylidene]amino}6-fluoro-2,3-dihydroisoindol-1-one (850462-68-9)

Guidance literature:

In acetic acid; at 20 ℃; for 96h;

Reference yield: 65.0%

4-(4-chloro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanal (611231-38-0) + 4-amino-6-fluoro-2,3-dihydroisoindol-1-one (850462-63-4) → 4-{[4-(4-chloro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentylidene]amino}-6-fluoro-2,3-dihydroisoindol-1-one

Guidance literature:

In acetic acid; at 20 ℃; for 96h;

upstream raw materials:

2-(azidomethyl)-5-fluoro-3-nitrobenzoic acid methyl ester

Downstream raw materials:

4-{[4-(5-chloro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentylidene]amino}6-fluoro-2,3-dihydroisoindol-1-one

4-{[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentylidene]amino}6-fluoro-2,3-dihydroisoindol-1-one

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