Methyl 2-(1,3-dioxoisoindolin-2-yl)acetate

Base Information

• Chemical Name: Methyl 2-(1,3-dioxoisoindolin-2-yl)acetate
• CAS No.: 23244-58-8
• Molecular Formula: C11H9 N O4
• Molecular Weight: 219.197
• Hs Code.: 2925190090
• European Community (EC) Number: 662-377-3
• NSC Number: 126803
• DSSTox Substance ID: DTXSID30298892
• Nikkaji Number: J427.002I
• Wikidata: Q82040991
• Mol file: 23244-58-8.mol

Synonyms:23244-58-8;Methyl 2-(1,3-dioxoisoindolin-2-yl)acetate;Methyl 2-phthalimidoacetate;methyl 2-(1,3-dioxoisoindol-2-yl)acetate;Methyl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate;N-phthaloylglycine methyl ester;Methyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-acetate;Methyl phthalimidoacetate;methyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate;2H-Isoindole-2-acetic acid, 1,3-dihydro-1,3-dioxo-, methyl ester;Methyl2-(1,3-dioxoisoindolin-2-yl)acetate;SCHEMBL524126;DTXSID30298892;Methyl (1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)acetate;Phthalimidylacetic acid methyl ester;BBL001789;CX1361;MFCD00158668;NSC126803;STK279556;AKOS000275015;CS-W014766;NSC 126803;NSC-126803;SB66122;SS-2960;4-METHYL-1-CYCLOHEXANECARBOXYLICACID;FT-0681260;AF-960/00453009;J-521797;Z18271718;Methyl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate #

Chemical Property of Methyl 2-(1,3-dioxoisoindolin-2-yl)acetate

Chemical Property:

• Vapor Pressure: 6.04E-05mmHg at 25°C
• Melting Point: 113 °C
• Boiling Point: 345.7°Cat760mmHg
• PKA: -2.69±0.20(Predicted)
• Flash Point: 162.9°C
• PSA: 63.68000
• Density: 1.368g/cm³
• LogP: 0.39350
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 219.05315777
• Heavy Atom Count: 16
• Complexity: 315

Purity/Quality:

97% ^*data from raw suppliers

Methyl(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CN1C(=O)C2=CC=CC=C2C1=O
• Uses: Methyl (1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate is a useful research chemical.

Technology Process of Methyl 2-(1,3-dioxoisoindolin-2-yl)acetate

There total 6 articles about Methyl 2-(1,3-dioxoisoindolin-2-yl)acetate 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: 79.0%

2-(2-Hydroperoxy-2-methoxy-ethyl)-isoindole-1,3-dione (124536-28-3) → N-methylphthalimide (550-44-7) + 2-(hydroxymethyl)-1H-isoindole-1,3(2H)-dione (118-29-6) + Methyl formate (107-31-3) + N-phthaloylglycine methyl ester (23244-58-8)

Guidance literature:

In acetonitrile; at 0 ℃; Irradiation;

DOI:10.1016/0040-4039(91)80658-S

Reference yield: 79.0%

phthalic anhydride (85-44-9) + Methyl azidoacetate (1816-92-8) → N-phthaloylglycine methyl ester (23244-58-8)

Guidance literature:

With triphenylphosphine; In neat (no solvent); at 120 ℃; for 0.5h; Green chemistry;

DOI:10.1007/s13738-012-0090-7

Reference yield: 77.0%

phthalic anhydride (85-44-9) + methoxycarbonylmethylamine (616-34-2) → N-phthaloylglycine methyl ester (23244-58-8)

Guidance literature:

With triethylamine; In N,N-dimethyl-formamide; Heating;

DOI:10.1016/S0040-4020(01)85060-2

upstream raw materials:

phthalic anhydride

methoxycarbonylmethylamine

S-ethyl 2-(1,3-dioxoisoindolin-2-yl)ethanethioate

2-(2-Hydroperoxy-2-methoxy-ethyl)-isoindole-1,3-dione

Downstream raw materials:

2-phthalimidoacetamide

[2-(Pyrrolidine-1-carbonyl)-benzoylamino]-acetic acid methyl ester

N-phthaloylglycine

methyl 2-(1-hydroxy-3-oxoisoindolin-2-yl)acetate