1H-Isoindole-5-carboxylic acid, 2,3-dihydro-1,3-dioxo-

Base Information

• Chemical Name: 1H-Isoindole-5-carboxylic acid, 2,3-dihydro-1,3-dioxo-
• CAS No.: 20262-55-9
• Molecular Formula: C9H5NO4
• Molecular Weight: 191.143
• Hs Code.: 2925190090
• European Community (EC) Number: 817-857-9
• NSC Number: 87998
• UNII: U88MVD6RJK
• DSSTox Substance ID: DTXSID0066585
• Nikkaji Number: J68.903C
• Wikidata: Q81976995
• Mol file: 20262-55-9.mol

Synonyms:20262-55-9;4-Carboxyphthalimide;Trimellitimide;1,3-dioxoisoindoline-5-carboxylic acid;1H-Isoindole-5-carboxylic acid, 2,3-dihydro-1,3-dioxo-;1,3-Dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid;1,3-dioxoisoindole-5-carboxylic acid;5-Isoindolinecarboxylic acid, 1,3-dioxo-;U88MVD6RJK;NSC 87998;NSC-87998;2,3-dihydro-1,3-dioxo-1h-isoindole-5-carboxylic acid;NSC87998;UNII-U88MVD6RJK;Cambridge id 5161464;NCIOpen2_001158;Oprea1_611612;Oprea1_786251;SCHEMBL1260800;DTXSID0066585;HMS1678K10;STK267623;1,3-dioxoisoindoline-5-carboxylicacid;5-Isoindolinecarboxylic acid,3-dioxo-;AKOS000275048;FS-5665;1,3-Dioxo-5-isoindolinecarboxylic acid #;CS-0120738;EN300-69178;1H-Isoindole-5-carboxylic acid,3-dihydro-1,3-dioxo-;Z57124510;1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic a acid, AldrichCPR

Chemical Property of 1H-Isoindole-5-carboxylic acid, 2,3-dihydro-1,3-dioxo-

Chemical Property:

• Melting Point: 255-257 °C
• Boiling Point: °Cat760mmHg
• PKA: 3.28±0.20(Predicted)
• Flash Point: °C
• PSA: 83.47000
• Density: 1.591g/cm³
• LogP: 0.59720
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 191.02185764
• Heavy Atom Count: 14
• Complexity: 312

Purity/Quality:

NLT 98% ^*data from raw suppliers

1,3-Dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 25-36-51
• Safety Statements: 26-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1C(=O)O)C(=O)NC2=O

Technology Process of 1H-Isoindole-5-carboxylic acid, 2,3-dihydro-1,3-dioxo-

There total 8 articles about 1H-Isoindole-5-carboxylic acid, 2,3-dihydro-1,3-dioxo- 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: 99.5%

ammonium trimellitate (7572-36-3,78759-00-9,123368-95-6,123368-96-7) → 11,3-dioxoisoindoline-5-carboxylic acid (20262-55-9)

Guidance literature:

at 250 ℃; for 5h; under 14 Torr;

Reference yield: 80.0%

trimellitic Anhydride (552-30-7,145253-53-8) → 11,3-dioxoisoindoline-5-carboxylic acid (20262-55-9)

Guidance literature:

With ammonium carbonate; at 280 ℃; for 0.333333h;

DOI:10.1016/S0040-4039(98)00964-2

Reference yield:

1,2,4-benzene tricarboxylic acid (528-44-9) → 11,3-dioxoisoindoline-5-carboxylic acid (20262-55-9)

Guidance literature:

With ammonium hydroxide;

upstream raw materials:

1,2,4-benzene tricarboxylic acid

ammonium trimellitate

trimellitic Anhydride

1,3-dioxoisoindoline-5-carbonitrile

Downstream raw materials:

3,4-dicyano benzoic acid

N¹-benzo[1,3]dioxol-5-ylmethyl-N¹,N⁴,N⁴-tribenzyl-2-(tetrahydro-pyran-2-yloxymethyl)-terephthalamide

N¹-benzo[1,3]dioxol-5-ylmethyl-N⁴-benzyl-2-hydroxymethyl-terephthalamide

2-benzo[1,3]dioxol-5-ylmethyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid benzylamide

Refernces

• 1、 -. "OBSCURANT COMPOSITIONS". Paragraph 0056. . Retrieved 2018/02/13.
• 2、 -. "Dye-sensitized solar cell and photoelectric conversion element and a phthalocyanine pigment used phthalocyanine dye". Paragraph 0052; 0053. . Retrieved 2017/06/02.