1-Benzyl-4-methoxybenzene

Base Information

• Chemical Name: 1-Benzyl-4-methoxybenzene
• CAS No.: 834-14-0
• Molecular Formula: C14H14 O
• Molecular Weight: 198.265
• Hs Code.: 2909309090
• European Community (EC) Number: 674-157-4
• NSC Number: 2413
• DSSTox Substance ID: DTXSID70232316
• Nikkaji Number: J145.239H
• Wikidata: Q83113336
• ChEMBL ID: CHEMBL1915868
• Mol file: 834-14-0.mol

Synonyms:4-methoxydiphenylmethane

Chemical Property of 1-Benzyl-4-methoxybenzene

Chemical Property:

• Vapor Pressure: 0.0018mmHg at 25°C
• Boiling Point: 302.2°C at 760 mmHg
• Flash Point: 117.6°C
• PSA: 9.23000
• Density: 1,05 g/cm3
• LogP: 3.28600
• Storage Temp.: room temp
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 198.104465066
• Heavy Atom Count: 15
• Complexity: 164

Purity/Quality:

97% ^*data from raw suppliers

4-Methoxydiphenylmethane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,N
• Hazard Codes: Xi,N
• Statements: 36/37/38-50/53-41-37/38
• Safety Statements: 26-36/37/39-61-60-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)CC2=CC=CC=C2

Technology Process of 1-Benzyl-4-methoxybenzene

There total 268 articles about 1-Benzyl-4-methoxybenzene 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: 98.0%

4-methoxyphenylboronic acid (5720-07-0) + benzyl chloride (100-44-7) → p-benzylanizole (834-14-0)

Guidance literature:

With dichloro bis(acetonitrile) palladium(II); 1,3-bis(diphenylphosphino)-1H-indole; sodium hydroxide; In N,N-dimethyl acetamide; at 120 ℃; for 7h; Inert atmosphere;

DOI:10.1016/j.tet.2013.03.030

Reference yield: 71.0%

benzyl chloride (100-44-7) + 4-methoxyphenyl magnesium bromide (13139-86-1) → p-benzylanizole (834-14-0) + 1,1'-(1,2-ethanediyl)bisbenzene (103-29-7)

Guidance literature:

With C₇₆H₈₈Cl₂FeN₈P₄; In tetrahydrofuran; at 0 ℃; for 1h; Schlenk technique; Inert atmosphere;

DOI:10.1246/cl.2013.183

Reference yield: 55.0%

carbon monoxide (201230-82-2) + 4-methoxyphenylboronic acid (5720-07-0) + benzyl chloride (100-44-7) → 4-methoxyphenyl benzyl ketone (1023-17-2) + p-benzylanizole (834-14-0)

Guidance literature:

With potassium phosphate; palladium diacetate; tricyclohexylphosphine; In water; at 80 ℃; for 20h; under 7500.75 Torr; Inert atmosphere;

DOI:10.1016/j.tetlet.2010.09.078

upstream raw materials:

4-Methoxybenzophenone

1-(4-methoxyphenyl)-1-phenylmethanol

p-Methoxybenzyl bromide

benzyl chloride

Downstream raw materials:

4-Methoxybenzophenone

p-benzylphenol

2-(4-methoxyphenyl)-2-phenylacetonitrile

(phenyl)(p-methoxyphenyl)methanol acetate