3-Benzylphenol

Base Information

• Chemical Name: 3-Benzylphenol
• CAS No.: 22272-48-6
• Molecular Formula: C13H12O
• Molecular Weight: 184.238
• Hs Code.: 2907199090
• DSSTox Substance ID: DTXSID80176818
• Nikkaji Number: J83.169G
• Wikidata: Q83047126
• ChEMBL ID: CHEMBL4289303
• Mol file: 22272-48-6.mol

Synonyms:3-Benzylphenol;22272-48-6;3-Benzyl-phenol;p-oxy-diphenylmethane;SCHEMBL1531575;CHEMBL4289303;DTXSID80176818;JKFDELMIGLPLAX-UHFFFAOYSA-N;MFCD00036116;AKOS006273484;CS-W021846;DS-10977;FT-0648006;A878630;J-511767

Chemical Property of 3-Benzylphenol

Chemical Property:

• Vapor Pressure: 0.000138mmHg at 25°C
• Refractive Index: 1.602
• Boiling Point: 323.5 °C at 760 mmHg
• Flash Point: 155.1 °C
• PSA: 20.23000
• Density: 1.101 g/cm³
• LogP: 2.98300
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 184.088815002
• Heavy Atom Count: 14
• Complexity: 161

Purity/Quality:

97% ^*data from raw suppliers

3-Benzylphenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Benzylphenol

There total 27 articles about 3-Benzylphenol 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%

3-(2-phenyl-1,3-dithian-2-yl)phenol → 3-Benzyl-phenol (22272-48-6)

Guidance literature:

3-(2-phenyl-1,3-dithian-2-yl)phenol; With chloro-trimethyl-silane; sodium iodide; In dichloromethane; at 20 ℃; Inert atmosphere; Green chemistry;

With water; In dichloromethane; at 20 ℃; Inert atmosphere; Green chemistry;

DOI:10.1002/adsc.201800437

Reference yield: 82.0%

3-Bromophenol (591-20-8) + benzyl chloride (100-44-7) → 3-Benzyl-phenol (22272-48-6)

Guidance literature:

benzyl chloride; With indium(III) chloride; magnesium; lithium chloride; In tetrahydrofuran; at 25 ℃; for 2h; Schlenk technique; Inert atmosphere;

3-Bromophenol; With bis-triphenylphosphine-palladium(II) chloride; In N,N-dimethyl acetamide; at 80 ℃; for 12h; Schlenk technique; Inert atmosphere;

DOI:10.1002/chem.201203795

Reference yield: 63.0%

3-hydroxy-2-pyrone (496-64-0) + (3-nitro-2-propenyl)benzene (113361-26-5,62753-10-0) → 3-Benzyl-phenol (22272-48-6)

Guidance literature:

With aluminum (III) chloride; 2,6-di-tert-butyl-4-methyl-phenol; In 1,2-dichloro-benzene; at 150 ℃; for 16h; Inert atmosphere; Sealed tube;

DOI:10.1021/acs.orglett.0c02157

upstream raw materials:

m-benzylanisole

(3-hydroxyphenyl)(phenyl)methanol

benzyl bromide

phenol

Downstream raw materials:

toluene

phenol

2,6-diallyl-3-benzylphenol

1-benzyl-3-(3-chloropropoxy)benzene