2-Benzoyloxybenzoic acid

Base Information

• Chemical Name: 2-Benzoyloxybenzoic acid
• CAS No.: 4578-66-9
• Molecular Formula: C14H10 O4
• Molecular Weight: 242.231
• European Community (EC) Number: 224-963-3
• DSSTox Substance ID: DTXSID70963436
• Nikkaji Number: J297.830J
• Wikidata: Q82945296
• Mol file: 4578-66-9.mol

Synonyms:2-(benzoyloxy)benzoic acid;2-Benzoyloxybenzoic acid;4578-66-9;EINECS 224-963-3;Benzoylsalicylsaure;AL-398/25017022;SCHEMBL1979275;Benzoic acid, 2-(benzoyloxy)-;DTXSID70963436;MFCD02182258

Chemical Property of 2-Benzoyloxybenzoic acid

Chemical Property:

• Vapor Pressure: 8.13E-10mmHg at 25°C
• Boiling Point: 474.7°C at 760 mmHg
• Flash Point: 186.1°C
• Density: 1.306g/cm³
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 242.05790880
• Heavy Atom Count: 18
• Complexity: 307

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)OC2=CC=CC=C2C(=O)O

Technology Process of 2-Benzoyloxybenzoic acid

There total 32 articles about 2-Benzoyloxybenzoic 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: 93.0%

benzoyl chloride (98-88-4) + salicylic acid (69-72-7,25496-36-0,8052-31-1) → o-benzoyloxybenzoic acid (4578-66-9)

Guidance literature:

With pyridine; In diethyl ether; at 5 - 20 ℃;

DOI:10.1016/j.tet.2008.01.012

Reference yield: 78.3%

→ benzoic acid phenyl ester (93-99-2) + o-benzoyloxybenzoic acid (4578-66-9)

Guidance literature:

In various solvent(s); at 235 ℃; for 0.666667h;

Reference yield: 76.0%

potassium flavonolate → o-benzoyloxybenzoic acid (4578-66-9)

Guidance literature:

With oxygen; In N,N-dimethyl-formamide; at 50 ℃; for 8h; under 750.075 Torr;

DOI:10.1021/jo991926w

upstream raw materials:

pyridine

diethyl ether

benzoyl chloride

salicylic acid

Downstream raw materials:

benzoic acid

salicylic acid

benzoic acid phenyl ester

5-benzoylsalicylic acid

Refernces

• 1、 Grubel, Katarzyna,Marts, Amy R.,Greer, Samuel M.,Tierney, David L.,Allpress, Caleb J.,Anderson, Stacey N.,Laughlin, Brynna J.,Smith, Rhett C.,Arif, Atta M.,Berreau, Lisa M.. "Photoinitiated dioxygenase-type reactivity of open-shell 3d divalent metal flavonolato complexes". . p. 4750 - 4757. Retrieved 2012.
• 2、 Huang, Qian-Qian,Sun, Ying-Ji,Wu, Hong-Wei,Wang, Ying-Ling. "RETRACTED ARTICLE: A structural and functional model of copper(II)-flavonolate ES complex of flavonol 2,4-dioxygenase". . p. 7 - 10. Retrieved 2017.
• 3、 Grubel, Katarzyna,Saraf, Sushma L.,Anderson, Stacey N.,Laughlin, Brynna J.,Smith, Rhett C.,Arif, Atta M.,Berreau, Lisa M.. "Synthesis, characterization, and photoinduced CO-release reactivity of a Pb(II) flavonolate complex: Comparisons to Group 12 analogs". . p. 91 - 97. Retrieved 2013.
• 4、 Dana, Suman,Chowdhury, Deepan,Mandal, Anup,Chipem, Francis A. S.,Baidya, Mahiuddin. "Ruthenium(II) Catalysis/Noncovalent Interaction Synergy for Cross-Dehydrogenative Coupling of Arene Carboxylic Acids". . p. 10173 - 10179. Retrieved 2018/11/21.
• 5、 Kamatham, Samuel,Pallu, Reddanna,Pasupulati, Anil Kumar,Singh, Surya Satyanarayana,Gudipalli, Padmaja. "Benzoylsalicylic acid derivatives as defense activators in tobacco and Arabidopsis". . p. 160 - 169. Retrieved 2017/08/29.