4-Hydroxyphenyl benzoate

Base Information

• Chemical Name: 4-Hydroxyphenyl benzoate
• CAS No.: 2444-19-1
• Molecular Formula: C13H10O3
• Molecular Weight: 214.221
• Hs Code.: 2916310090
• European Community (EC) Number: 219-479-4
• NSC Number: 48470
• UNII: ZCY7O225CP
• DSSTox Substance ID: DTXSID9051905
• Nikkaji Number: J80.489D
• Wikidata: Q27295326
• Mol file: 2444-19-1.mol

Synonyms:4-Hydroxyphenyl benzoate;2444-19-1;Hydroquinone monobenzoate;(4-hydroxyphenyl) benzoate;p-Hydroxyphenyl benzoate;BENZOIC ACID 4-HYDROXYPHENYL ESTER;p-benzoxyphenol;4-benzoyloxyphenol;1,4-Diphenol, 1-benzoate;4-HYDROXYPHENYLBENZOATE;UNII-ZCY7O225CP;ZCY7O225CP;EINECS 219-479-4;NSC-48470;quinol monobenzoate;4-Hydroxyphenyl benzoate #;Oprea1_309607;Oprea1_334063;SCHEMBL281981;DTXSID9051905;AMY36376;NSC48470;Benzoic acid 4-hydroxy-phenyl ester;MFCD00053304;NSC 48470;AKOS007930252;FT-0618729;EN300-85512;A936211;SR-01000357277;SR-01000357277-1;W-202022;Q27295326

Chemical Property of 4-Hydroxyphenyl benzoate

Chemical Property:

• Vapor Pressure: 3.3E-06mmHg at 25°C
• Melting Point: 164-165 °C
• Refractive Index: 1.615
• Boiling Point: 376.6 °C at 760 mmHg
• PKA: 9.59±0.26(Predicted)
• Flash Point: 164.7 °C
• PSA: 46.53000
• Density: 1.25 g/cm³
• LogP: 2.61140
• Storage Temp.: 2-8°C
• 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: 225

Purity/Quality:

99% ^*data from raw suppliers

4-HydroxyphenylBenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: R36/37/38:Irritating to eyes, respiratory system and skin.
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)O
• Uses: 4-Hydroxyphenyl Benzoate is a useful intermediate and is used in the production of insecticide, Pyridalyl (P997113).

Technology Process of 4-Hydroxyphenyl benzoate

There total 30 articles about 4-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%

(4'-benzyloxyphenyl)benzoate (2444-21-5) → 4-hydroxyphenyl benzoate (2444-19-1)

Guidance literature:

With cyclohexene; palladium dihydroxide; In ethanol; for 2h; Heating;

DOI:10.1002/hlca.200690035

Reference yield: 94.0%

4-benzoyloxy phenyl acetate (225529-40-8) → 4-hydroxyphenyl benzoate (2444-19-1)

Guidance literature:

With sodium perborate; In methanol; at 25 ℃; for 0.5h;

DOI:10.1039/b203766c

Reference yield: 91.0%

1,4-dibenzoyloxybenzene (14210-97-0) → 4-hydroxyphenyl benzoate (2444-19-1)

Guidance literature:

With phosphate buffer; Lipase PS-C; In tetrahydrofuran; for 4h; Ambient temperature; pH=7;

DOI:10.1080/00397919908086153

upstream raw materials:

benzoyl chloride

hydroquinone

benzoic acid phenyl ester

(4'-benzyloxyphenyl)benzoate

Downstream raw materials:

4-Benzoyloxy-2-phenylazo-phenol

4-hydroxy-3-nitrophenyl benzoate

phosphoric acid mono-(4-benzoyloxy-phenyl ester)

2.6-dinitro-hydroquinone-4-benzoate

Refernces

• 1、 Boughaba, Sara,Aouf, Zineb,Zerrouki, Rachida,Aouf, Nour Eddine. "N,O-Benzyl Protection of Structurally Varied Amines and Phenols Using Wells-Dawson Heteropolyacid Catalyst". . p. 301 - 310. Retrieved 2021/05/24.
• 2、 Capocasa, Giorgio,Olivo, Giorgio,Barbieri, Alessia,Lanzalunga, Osvaldo,Di Stefano, Stefano. "Direct hydroxylation of benzene and aromatics with H2O2 catalyzed by a self-assembled iron complex: Evidence for a metal-based mechanism". . p. 5677 - 5686. Retrieved 2017/12/07.