5-(1,3-Dioxoisoindolin-2-yl)-4-oxopentanoic acid

Base Information

• Chemical Name: 5-(1,3-Dioxoisoindolin-2-yl)-4-oxopentanoic acid
• CAS No.: 92632-81-0
• Molecular Formula: C13H11NO5
• Molecular Weight: 261.234
• Hs Code.: 2925190090
• DSSTox Substance ID: DTXSID70567539
• Nikkaji Number: J435.329C
• Wikidata: Q82453448
• Mol file: 92632-81-0.mol

Synonyms:92632-81-0;5-(1,3-Dioxoisoindolin-2-yl)-4-oxopentanoic acid;5-(1,3-dioxoisoindol-2-yl)-4-oxopentanoic acid;5-Phthalimidolevulinic acid;5-(1,3-Dioxoisoindolin-2-yl)-4-oxopentanoicacid;SCHEMBL1413232;DTXSID70567539;4-keto-5-phthalimido-valeric acid;SB65487;AMY202100132;AS-78538;D93640;5-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-oxopentanoic acid

Chemical Property of 5-(1,3-Dioxoisoindolin-2-yl)-4-oxopentanoic acid

Chemical Property:

• PSA: 91.75000
• LogP: 0.65440
• Storage Temp.: -20°C Freezer, Under inert atmosphere
• Solubility.: Chloroform (Slightly), DMSO (Slightly)
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 261.06372245
• Heavy Atom Count: 19
• Complexity: 407

Purity/Quality:

99% ^*data from raw suppliers

5-(1,3-Dioxoisoindolin-2-yl)-4-oxopentanoicacid 95+% ^*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)CC(=O)CCC(=O)O
• Uses: 5-Phthalimidolevulinic Acid is a related compound of 5-aminolevulinic acid; used as an add-on agent for photodynamic therapy.

Technology Process of 5-(1,3-Dioxoisoindolin-2-yl)-4-oxopentanoic acid

There total 25 articles about 5-(1,3-Dioxoisoindolin-2-yl)-4-oxopentanoic acid 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: 98.0%

2-phthalimidomethyl-2,5-dimethoxytetrahydrofuran (63458-74-2) → 5-phthalimidyl levulinic acid (92632-81-0)

Guidance literature:

With sulfuric acid; potassium peroxymonosulfate; In water; acetone; at 20 ℃; for 3h; Reagent/catalyst; Temperature;

Reference yield: 98.0%

5-phthalimidolevulinaldehyde (64272-85-1) → 5-phthalimidyl levulinic acid (92632-81-0)

Guidance literature:

With sulfuric acid; dihydrogen peroxide; In acetone; at 30 ℃; for 6h; Reagent/catalyst; Temperature;

Reference yield: 98.0%

4-oxo-5-phthalimido-pent-2-enoic acid (16493-29-1) → 5-phthalimidyl levulinic acid (92632-81-0)

Guidance literature:

With hydrogen; In methanol;

upstream raw materials:

ethyl 5-(1,3-dioxoisoindolin-2-yl)-4-oxopentanoate

(2-oxo-3-phthalimido-propyl)-malonic acid

2-((tetrahydrofuran-2-yl)methyl)isoindoline-1,3-dione

TETRAHYDROFURFURYLAMINE

Downstream raw materials:

3-chlorobenzoyl 5-phthalimidolevulinoyl peroxide

5-aminolevulinic acid hydrochloride

3-(2-thioxo-2,3-dihydro-1H-imidazol-4-yl)-propionic acid

4-(3-chlorobenzoyloxy)-1-phthalimidobutan-2-one

Refernces

• 1、 Brewster, Richard C.,Suitor, Jack T.,Bennett, Adam W.,Wallace, Stephen. "Transition Metal-Free Reduction of Activated Alkenes Using a Living Microorganism". . p. 12409 - 12414. Retrieved 2019/08/16.
• 2、 -. "Preparation method of 5-aminolevulinic acid and Use of the same". Paragraph 0059-0062; 0071; 0076. . Retrieved 2016/12/12.