2-(2-Carboxylatoacetyl)benzoate

Base Information

• Chemical Name: 2-(2-Carboxylatoacetyl)benzoate
• CAS No.: 53266-48-1
• Molecular Formula: C10H8 O5
• Molecular Weight: 208.171
• Hs Code.: 2918300090
• DSSTox Substance ID: DTXSID60426181
• Wikidata: Q82239150
• Mol file: 53266-48-1.mol

Synonyms:2-(2-CARBOXYLATOACETYL)BENZOATE;53266-48-1;DTXSID60426181

Chemical Property of 2-(2-Carboxylatoacetyl)benzoate

Chemical Property:

• Vapor Pressure: 3.41E-10mmHg at 25°C
• Boiling Point: 484.4°Cat760mmHg
• Flash Point: 260.8°C
• PSA: 97.33000
• Density: g/cm³
• LogP: -1.62720
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 206.02152329
• Heavy Atom Count: 15
• Complexity: 273

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(=O)CC(=O)[O-])C(=O)[O-]

Technology Process of 2-(2-Carboxylatoacetyl)benzoate

There total 4 articles about 2-(2-Carboxylatoacetyl)benzoate 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:

2,2-dimethyl-3,4-dihydro-2H-benzo[h]chromene-5,6-dione (4707-32-8) → 4-hydroxyphthalic anhydride (27550-59-0) + C15H14O5 (1337915-27-1) + 2-(2-carboxyacetyl)benzoic acid (53266-48-1) + benzene-1,2-dicarboxylic acid (88-99-3,73607-73-5)

Guidance literature:

With water; In ethanol; at 40 ℃; Time; Kinetics; Photolysis;

DOI:10.1111/j.2042-7158.2011.01323.x

Reference yield:

→ 2-(2-carboxyacetyl)benzoic acid (53266-48-1)

Guidance literature:

With sodium hydroxide;

Reference yield:

phthalidyliden-acetic acid (4743-57-1) → 2-(2-carboxyacetyl)benzoic acid (53266-48-1)

Guidance literature:

upstream raw materials:

phthalidyliden-acetic acid

2,2-dimethyl-3,4-dihydro-2H-benzo[h]chromene-5,6-dione

Downstream raw materials:

2-acetyl-benzoic acid

(4-oxo-3-phenyl-3,4-dihydro-phthalazin-1-yl)-acetic acid

4-methyl-2-phenylphthalazin-1(2H)-one

carbon dioxide

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