3-Hydroxyphenyl benzoate

Base Information

• Chemical Name: 3-Hydroxyphenyl benzoate
• CAS No.: 136-36-7
• Molecular Formula: C13H10 O3
• Molecular Weight: 214.221
• Hs Code.: 29182900
• European Community (EC) Number: 205-241-7
• NSC Number: 4807
• UNII: 942E82KUWD
• DSSTox Substance ID: DTXSID1038878
• Nikkaji Number: J60.339B
• Wikidata: Q27271634
• ChEMBL ID: CHEMBL2260450
• Mol file: 136-36-7.mol

Synonyms:resorcinol monobenzoate

Chemical Property of 3-Hydroxyphenyl benzoate

Chemical Property:

• Appearance/Colour: white fine crystalline powder
• Vapor Pressure: 2.67E-06mmHg at 25°C
• Melting Point: 133-135 °C(lit.)
• Refractive Index: 1.5090 (estimate)
• Boiling Point: 379.5°Cat760mmHg
• PKA: 9.12±0.10(Predicted)
• Flash Point: 166.2°C
• PSA: 46.53000
• Density: 1.25g/cm³
• LogP: 2.61140
• Solubility.: soluble in Methanol
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 214.062994177
• Heavy Atom Count: 16
• Complexity: 233

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Hydroxyphenyl Benzoate >95.0%(GC) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)O
• Uses: Noncoloring UV inhibitor for various plastics, color stabilizer in cosmetic compositions. Resorcinol monobenzoate is used as an ultraviolet stabilizer in certain types of plastic films. Resorcinol monobenzoate is used as UV-light absorber added mainly to outdoor plastics; additive in spectacle frames.

Technology Process of 3-Hydroxyphenyl benzoate

There total 20 articles about 3-Hydroxyphenyl 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: 99.0%

benzoic acid (65-85-0,8013-63-6) + recorcinol (108-46-3) → benzoate d'hydroxy-3 phenyle (136-36-7)

Guidance literature:

With toluene-4-sulfonic acid; In 5,5-dimethyl-1,3-cyclohexadiene; at 120 ℃; for 48h; Reagent/catalyst; Solvent; Temperature;

Reference yield: 90.0%

benzoyl chloride (98-88-4) + recorcinol (108-46-3) → benzoate d'hydroxy-3 phenyle (136-36-7)

Guidance literature:

at 20 ℃;

DOI:10.1016/j.tet.2004.05.064

Reference yield: 83.0%

resorcinol dibenzoate (94-01-9) → benzoate d'hydroxy-3 phenyle (136-36-7)

Guidance literature:

With phosphate buffer; Lipase PS-C; In tetrahydrofuran; for 6h; Ambient temperature; pH=7;

DOI:10.1080/00397919908086153

upstream raw materials:

pyridine

benzoyl chloride

recorcinol

resorcinol dibenzoate

Downstream raw materials:

3-Veratryloxy-phenol

4-nitroresorcinol

6-iodoresorcinol 3-benzoate

5-benzoyloxy-2-bromo-phenol

Refernces

• 1、 Cervi, Aymeric,Vo, Yen,Chai, Christina L. L.,Banwell, Martin G.,Lan, Ping,Willis, Anthony C.. "Gold(I)-Catalyzed Intramolecular Hydroarylation of Phenol-Derived Propiolates and Certain Related Ethers as a Route to Selectively Functionalized Coumarins and 2 H-Chromenes". . p. 178 - 198. Retrieved 2020/12/22.
• 2、 Chou, Chih-Hung,Chen, Ying-Yu,Rajagopal, Basker,Tu, Hsiu-Chung,Chen, Kuan-Lin,Wang, Sheng-Fu,Liang, Chien-Fu,Tyan, Yu-Chang,Lin, Po-Chiao. "Thermally Induced Denitrogenative Annulation for the Synthesis of Dihydroquinolinimines and Chroman-4-imines". supporting information. p. 757 - 765. Retrieved 2016/03/09.