5-Fluoro-2,3-dihydro-1H-isoindole

Base Information

• Chemical Name: 5-Fluoro-2,3-dihydro-1H-isoindole
• CAS No.: 57584-71-1
• Molecular Formula: C8H8FN
• Molecular Weight: 137.157
• European Community (EC) Number: 676-207-0
• DSSTox Substance ID: DTXSID30564160
• Wikidata: Q72479673
• Mol file: 57584-71-1.mol

Synonyms:5-Fluoro-2,3-dihydro-1H-isoindole;5-Fluoroisoindoline;57584-71-1;C8H8FN;1H-ISOINDOLE, 5-FLUORO-2,3-DIHYDRO-;5- fluoroisoindoline;SCHEMBL107103;2,3-dihydro-5-fluoroisoindole;DTXSID30564160;UYIALDLZAMTNLK-UHFFFAOYSA-N;MFCD05863899;AKOS006347628;MB03627;BS-13347;A8209;EN300-89656;5-Fluoro-2,3-dihydro-1H-isoindole, AldrichCPR;Z1094758928

Chemical Property of 5-Fluoro-2,3-dihydro-1H-isoindole

Chemical Property:

• Vapor Pressure: 0.0408mmHg at 25°C
• Boiling Point: 194.4 °C at 760 mmHg
• PKA: 8.86±0.20(Predicted)
• Flash Point: 71.4 °C
• PSA: 12.03000
• Density: 1.154 g/cm³
• LogP: 1.75770
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 137.064077422
• Heavy Atom Count: 10
• Complexity: 126

Purity/Quality:

97% ^*data from raw suppliers

5-fluoro-2,3-dihydro-1H-isoindole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-51

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2=C(CN1)C=C(C=C2)F

Technology Process of 5-Fluoro-2,3-dihydro-1H-isoindole

There total 3 articles about 5-Fluoro-2,3-dihydro-1H-isoindole 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-fluoro-isoindole-1,3-dione (94514-21-3) → 5-fluoroisoindoline (57584-71-1)

Guidance literature:

With borane; In tetrahydrofuran;

DOI:10.1016/j.bmcl.2008.05.079

Reference yield:

4-fluorophthalic anhydride (319-03-9) → 5-fluoroisoindoline (57584-71-1)

Guidance literature:

4-fluorophthalic anhydride; With formamide;

With borane-THF;

DOI:10.1016/j.bmcl.2006.03.037

Reference yield:

→ 5-fluoroisoindoline (57584-71-1)

Guidance literature:

5-Fluor-2-(p-tolylsulfonyl)dihydroisoindol;

upstream raw materials:

4-fluorophthalic anhydride

5-fluoro-isoindole-1,3-dione

Downstream raw materials:

C₁₃H₁₆FNO₂

4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl 5-fluoroisoindoline-2-carboxylate

4-bromophenyl 5-fluoroisoindoline-2-carboxylate

7-chloro-5-(2,4-dimethoxyphenyl)-2-(2-(5-fluoroisoindolin-2-yl)ethyl)[1,2,4]triazolo[1,5-c]quinazoline

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