2-(Benzoyloxymethyl)benzoic acid

Base Information

• Chemical Name: 2-(Benzoyloxymethyl)benzoic acid
• CAS No.: 58249-83-5
• Molecular Formula: C15H12 O4
• Molecular Weight: 256.258
• Hs Code.: 2918990090
• European Community (EC) Number: 261-185-3
• DSSTox Substance ID: DTXSID40973805
• Nikkaji Number: J296.912B
• Wikidata: Q82957896
• Mol file: 58249-83-5.mol

Synonyms:2-(Benzoyloxymethyl)benzoic acid;58249-83-5;2-((Benzoyloxy)methyl)benzoic acid;2-[(benzoyloxy)methyl]benzoic acid;EINECS 261-185-3;2-benzoyloxymethylbenzoic acid;2-(Hydroxymethyl)benzoic acid benzoate;2-benzoyloxymethyl benzoic acid;SCHEMBL5860477;DTXSID40973805;STR04957;Butanoic acid,2-methyl-, octyl ester;Benzenesulfonamide, N,N-dibutyl-4-methyl-;FT-0729576;2-(Benzoyloxymethyl)benzoic acid, >=98.0% (T)

Chemical Property of 2-(Benzoyloxymethyl)benzoic acid

Chemical Property:

• Vapor Pressure: 5.57E-08mmHg at 25°C
• Melting Point: 126-129 °C
• Boiling Point: 425°C at 760 mmHg
• PKA: 3.74±0.36(Predicted)
• Flash Point: 160.8°C
• PSA: 63.60000
• Density: 1.277g/cm³
• LogP: 2.74180
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 256.07355886
• Heavy Atom Count: 19
• Complexity: 320

Purity/Quality:

99% ^*data from raw suppliers

2-(Benzoyloxymethyl)benzoic acid ≥98.0% (T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)OCC2=CC=CC=C2C(=O)O
• Uses: 2-(Benzoyloxymethyl)benzoic acid can be used to synthesize: 2-(Benzoyloxymethyl)benzoyl chloride (BMBC) by reacting with oxalyl chloride. BMBC intermediate is utilized for the preparation of dimethyl 2-(benzoyloxymethyl)benzoylphosphonate by treating with trimethyl phosphite. 2-Benzoyloxymethylbenzoic acid 4-nitrophenyl ester by reaction with 4-nitrophenol via 2-benzoyloxymethylbenzoyl chloride formation. 2-[2-(Benzoyloxymethyl)benzamido]acetamide by treating with glycinamide and followed by addition of PCl3.

Technology Process of 2-(Benzoyloxymethyl)benzoic acid

There total 2 articles about 2-(Benzoyloxymethyl)benzoic 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: 26.0%

2-benzofuran-1(3H)-one (87-41-2) + benzoyl chloride (98-88-4) → 2-(benzoyloxymethyl)benzoic acid (58249-83-5)

Guidance literature:

2-benzofuran-1(3H)-one; With sodium hydroxide; In water; at 60 ℃; for 0.5h;

benzoyl chloride; In water; for 1h;

DOI:10.1016/j.tetasy.2013.03.001

Reference yield:

→ 2-(benzoyloxymethyl)benzoic acid (58249-83-5)

Guidance literature:

Reference yield: 56.0%

2-(benzoyloxymethyl)benzoic acid (58249-83-5) → 2-benzoyloxymethyl benzoic acid chloride (58249-87-9)

Guidance literature:

With pyridine; thionyl chloride; In toluene; at 80 ℃; for 0.333333h;

DOI:10.1016/j.tetasy.2013.03.001

upstream raw materials:

2-benzofuran-1(3H)-one

benzoyl chloride

Downstream raw materials:

Benzoic acid 2-(carbamoylmethyl-carbamoyl)-benzyl ester

2-benzoyloxymethyl benzoic acid chloride

2-methyl-N-(4-methylphenyl)-benzamide

Benzoic acid 2-p-tolylcarbamoyl-benzyl ester