4-Benzylresorcinol

Base Information

• Chemical Name: 4-Benzylresorcinol
• CAS No.: 2284-30-2
• Molecular Formula: C13H12 O2
• Molecular Weight: 200.237
• Hs Code.: 2907299090
• European Community (EC) Number: 218-922-9
• UNII: RXH9P8G3D7
• DSSTox Substance ID: DTXSID9062306
• Nikkaji Number: J48.380J
• Wikidata: Q81989966
• ChEMBL ID: CHEMBL3109721
• Mol file: 2284-30-2.mol

Synonyms:4-Benzylresorcinol;2284-30-2;4-benzylbenzene-1,3-diol;4-Benzyl resorcinol;1,3-Benzenediol, 4-(phenylmethyl)-;Resorcinol, 4-benzyl-;BRN 2212106;EINECS 218-922-9;CHEMBL3109721;3-06-00-05404 (Beilstein Handbook Reference);p-Benzylresorcinol;4-Benzyl-1,3-benzenediol;RXH9P8G3D7;4-benzyl-benzene-1,3-diol;SCHEMBL68292;4-Benzyl-1,3-benzenediol #;DTXSID9062306;QVFIWTNWKHFVEH-UHFFFAOYSA-;4-(Phenylmethyl)-1,3-benzenediol;CAA28430;BDBM50446415;MFCD00059620;AS-58231;LS-143383;B0438;CS-0323945;FT-0692414;T70599

Chemical Property of 4-Benzylresorcinol

Chemical Property:

• Vapor Pressure: 6.58E-06mmHg at 25°C
• Melting Point: 79°C
• Refractive Index: 1.5930 (estimate)
• Boiling Point: 215°C 12mm
• Flash Point: 179.8 °C
• PSA: 40.46000
• Density: 1.208 g/cm³
• LogP: 2.68860
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 200.083729621
• Heavy Atom Count: 15
• Complexity: 187

Purity/Quality:

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

4-Benzylresorcinol >97.0%(GC) ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC2=C(C=C(C=C2)O)O

Technology Process of 4-Benzylresorcinol

There total 17 articles about 4-Benzylresorcinol 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: 95.0%

1-benzyl-2,4-dimethoxybenzene (32565-33-6) → 4-benzylresorcinol (2284-30-2)

Guidance literature:

1-benzyl-2,4-dimethoxybenzene; With boron tribromide; In dichloromethane; at -15 - 20 ℃; for 18h;

With water; In dichloromethane; at 20 ℃;

DOI:10.1016/j.ejmech.2010.11.028

Reference yield: 80.0%

3-Benzyloxyphenol (3769-41-3) → 2-(phenylmethyl)-1,3-dihydroxybenzene (3769-40-2) + 4-benzylresorcinol (2284-30-2)

Guidance literature:

With trifluoroacetic acid; In chloroform; for 96h; Reflux; Inert atmosphere;

DOI:10.1055/s-0029-1217064

Reference yield: 72.0%

benzyl alcohol (100-51-6,185532-71-2) + recorcinol (108-46-3) → 4,6-dibenzylbenzene-1,3-diol (26377-27-5) + 4-benzylresorcinol (2284-30-2)

Guidance literature:

benzyl alcohol; recorcinol; With antimony(III) chloride; In acetonitrile; at 65 ℃; for 0.416667h; Microwave irradiation;

With boron tribromide; In dichloromethane; at -20 - 0 ℃;

DOI:10.1055/s-0030-1260795

upstream raw materials:

2.4-dihydroxybenzophenone

benzyl chloride

recorcinol

benzyl alcohol

Downstream raw materials:

3,3'-(4-benzyl-m-phenylenedioxy)-di-propionitrile

1-benzyl-2,4-dimethoxybenzene

2-chlorobenzenesulfonic acid 3-hydroxy-4-benzylphenyl ester

5-benzyl-2-hydroxy-2,5-cyclohexadiene-1,4-dione

Refernces

• 1、 Fu, Xuewen,Lu, Xiaoxia,Wang, Chun,Wen, Yongju,Xiong, Wei,Zhang, Guolin,Zhang, Jichao. "Magnesium dicarboxylates promote the prenylation of phenolics that is extended to the total synthesis of icaritin". supporting information. p. 1117 - 1124. Retrieved 2022/02/16.
• 2、 Petronzi, Carmen,Filosa, Rosanna,Peduto, Antonella,Monti, Maria Chiara,Margarucci, Luigi,Massa, Antonio,Ercolino, Simona Francesca,Bizzarro, Valentina,Parente, Luca,Riccio, Raffaele,De Caprariis, Paolo. "Structure-based design, synthesis and preliminary anti-inflammatory activity of bolinaquinone analogues". experimental part. p. 488 - 496. Retrieved 2011/03/19.