1-Cyclohexyl-4-methoxy-benzene

Base Information

• Chemical Name: 1-Cyclohexyl-4-methoxy-benzene
• CAS No.: 613-36-5
• Molecular Formula: C13H18 O
• Molecular Weight: 190.285
• European Community (EC) Number: 653-563-5
• NSC Number: 6338
• DSSTox Substance ID: DTXSID50976786
• Nikkaji Number: J95.549C
• Wikidata: Q82961765
• Mol file: 613-36-5.mol

Synonyms:1-cyclohexyl-4-methoxy-benzene;1-cyclohexyl-4-methoxybenzene;613-36-5;4-Cyclohexylanisole;p-Cyclohexylanisole;NSC6338;4-Cyclohexylanisol;Enamine_000138;(4-Methoxyphenyl)cyclohexane;SCHEMBL1992931;SCHEMBL12015211;DTXSID50976786;Benzene, 1-cyclohexyl-4-methoxy-;HMS1394G06;NSC-6338;AKOS001030138;FT-0703887;Z56759820

Chemical Property of 1-Cyclohexyl-4-methoxy-benzene

Chemical Property:

• Vapor Pressure: 0.00447mmHg at 25°C
• Boiling Point: 286.8°C at 760 mmHg
• Flash Point: 132.1°C
• PSA: 9.23000
• Density: 0.977g/cm³
• LogP: 3.74290
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 190.135765193
• Heavy Atom Count: 14
• Complexity: 153

Purity/Quality:

98%min ^*data from raw suppliers

1-cyclohexyl-4-methoxybenzene 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C2CCCCC2

Technology Process of 1-Cyclohexyl-4-methoxy-benzene

There total 104 articles about 1-Cyclohexyl-4-methoxy-benzene 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%

1-bromocyclohexane (108-85-0) + 4-methoxyphenyl magnesium bromide (13139-86-1) → 4-cyclohexylanisole (613-36-5)

Guidance literature:

With N,N,N,N,-tetramethylethylenediamine; iron(III) chloride; In tetrahydrofuran; at 25 ℃; for 0.5h;

DOI:10.1021/ja049744t

Reference yield: 94.0%

4-chloromethoxybenzene (623-12-1) + cyclohexylmagnesiumchloride (931-51-1) → 4-cyclohexylanisole (613-36-5)

Guidance literature:

cyclohexylmagnesiumchloride; With iron(III) trifluoride; N,N′-bis(2,6-diisopropylphenyl)imidazol-2-ylidene hydrochloride; In tetrahydrofuran; at 0 ℃; Inert atmosphere;

4-chloromethoxybenzene; In tetrahydrofuran; at 20 - 25 ℃; for 14h; Inert atmosphere;

DOI:10.1055/s-0034-1380361

Reference yield: 93.0%

4-chloromethoxybenzene (623-12-1) + cyclohexylmagnesium bromide (931-50-0) → 4-cyclohexylanisole (613-36-5)

Guidance literature:

cyclohexylmagnesium bromide; With 1,3-bis[(2,6-diisopropyl)phenyl]imidazolinium chloride; In tetrahydrofuran; at 20 ℃; for 0.166667h; Flow reactor; Inert atmosphere;

4-chloromethoxybenzene; With iron(III)-acetylacetonate; In tetrahydrofuran; at 25 ℃; for 0.0833333h; Inert atmosphere; Flow reactor; Irradiation;

DOI:10.1002/anie.201906462

upstream raw materials:

1-(4-methoxyphenyl)cyclohexanol

4-methoxylbiphenyl

2-(4-methoxyphenyl)cyclohexanone

cyclohexane-1,2-epoxide

Downstream raw materials:

4-(5-cyclohexyl-2-methoxy-phenyl)-4-oxo-butyric acid

(4-cyclohexyl-cyclohexa-1,4-dienyl)-methyl ether

4-cyclohexyl-2-nitro-anisole

p-cyclohexylphenol