2-(4-Hydroxybutyl)isoindoline-1,3-dione

Base Information

• Chemical Name: 2-(4-Hydroxybutyl)isoindoline-1,3-dione
• CAS No.: 24697-70-9
• Molecular Formula: C12H13NO3
• Molecular Weight: 219.24
• Hs Code.: 2925190090
• DSSTox Substance ID: DTXSID60455835
• Nikkaji Number: J102.710G
• Wikidata: Q82277984
• Mol file: 24697-70-9.mol

Synonyms:2-(4-hydroxybutyl)isoindoline-1,3-dione;24697-70-9;2-(4-hydroxybutyl)isoindole-1,3-dione;1H-Isoindole-1,3(2H)-dione, 2-(4-hydroxybutyl)-;N-(4-hydroxybutyl)phthalimide;MFCD00204335;2-(4-hydroxybutyl)-1H-Isoindole-1,3(2H)-dione;2-(4-hydroxybutyl)-2,3-dihydro-1H-isoindole-1,3-dione;SCHEMBL2554681;N-(4-hydroxybutyl) phthalimide;DTXSID60455835;FWNCNQDIENYPDJ-UHFFFAOYSA-N;Phthalimide, N-(4-hydroxybutyl)-;AKOS009560134;SB64963;AS-67447;SY045094;CS-0312871;FT-0723722;2-(4-Hydroxybutyl)-2H-isoindole-1,3-dione;W18606;A924848

Chemical Property of 2-(4-Hydroxybutyl)isoindoline-1,3-dione

Chemical Property:

• Melting Point: 48-49 °C
• Boiling Point: 380.1±25.0 °C(Predicted)
• PKA: 15.07±0.10(Predicted)
• PSA: 57.61000
• Density: 1.284±0.06 g/cm3(Predicted)
• LogP: 0.99300
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 219.08954328
• Heavy Atom Count: 16
• Complexity: 266

Purity/Quality:

97% ^*data from raw suppliers

2-(4-hydroxybutyl)isoindoline-1,3-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCO

Technology Process of 2-(4-Hydroxybutyl)isoindoline-1,3-dione

There total 1 articles about 2-(4-Hydroxybutyl)isoindoline-1,3-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: 100.0%

phthalic anhydride (85-44-9) + 4-Aminobutanol (13325-10-5) → N-(4-hydroxybutyl)phthalimide (24697-70-9)

Guidance literature:

at 145 ℃; for 0.5h;

DOI:10.1021/jm970543s

Reference yield: 91.0%

2,2,2-trifluoroethyl benzimidate hydrochloride + N-(4-hydroxybutyl)phthalimide (24697-70-9) → 4-(1,3-dioxoisoindolin-2-yl)butyl benzimidate

Guidance literature:

2,2,2-trifluoroethyl benzimidate hydrochloride; N-(4-hydroxybutyl)phthalimide; In acetonitrile; at 50 ℃; for 3h;

With sodium hydrogencarbonate; In diethyl ether; for 0.0833333h;

DOI:10.1021/jacs.7b05214

Reference yield: 90.8%

N-(4-hydroxybutyl)phthalimide (24697-70-9) → 4-Aminobutanol (13325-10-5)

Guidance literature:

With water; sodium hydroxide; at 100 ℃; for 10h;

upstream raw materials:

phthalic anhydride

4-Aminobutanol

Downstream raw materials:

2-[4-(4-fluorophenoxy)butyl]isoindole-1,3-dione

2-amino-5-(2-phthalimidoethyl)thiazole hydrobromide

diphenyl benzyloxycarbonylamino-(3-phthalimidopropyl)methanephosphonate

2-(4-Benzyloxy-3,5-dimethoxy-phenyl)-6-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-3-hydroxy-2-morpholin-4-yl-hexanenitrile