(PENTYLOXY)BENZENE

Base Information

• Chemical Name: (PENTYLOXY)BENZENE
• CAS No.: 2050-04-6
• Molecular Formula: C11H16 O
• Molecular Weight: 164.247
• Hs Code.: 2909309090
• UNII: W8L3Z4J60K
• DSSTox Substance ID: DTXSID50174482
• Nikkaji Number: J49.879C
• Wikidata: Q27292466
• Mol file: 2050-04-6.mol

Synonyms:Ether,pentyl phenyl (6CI,7CI,8CI); (Pentyloxy)benzene; 1-Phenoxypentane; Amyl phenylether; Pentyl phenyl ether; Phenyl pentyl ether; n-Amyl phenyl ether

Chemical Property of (PENTYLOXY)BENZENE

Chemical Property:

• Vapor Pressure: 0.119mmHg at 25°C
• Refractive Index: 1.4947
• Boiling Point: 227°Cat760mmHg
• Flash Point: 83.6°C
• PSA: 9.23000
• Density: 0.915g/cm³
• LogP: 3.25560
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 164.120115130
• Heavy Atom Count: 12
• Complexity: 95.2

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCOC1=CC=CC=C1

Technology Process of (PENTYLOXY)BENZENE

There total 39 articles about (PENTYLOXY)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: 100.0%

pentan-1-ol (71-41-0) + chlorobenzene (108-90-7) → (pentyloxy)benzene (2050-04-6)

Guidance literature:

With potassium hydroxide; PEG-6000; at 150 ℃; for 6h;

DOI:10.1016/S0040-4020(01)91597-2

Reference yield: 99.0%

di(tetra-n-butylammonium)ethylzinc tribromide + 3-phenoxypropyl bromide (588-63-6) → (pentyloxy)benzene (2050-04-6)

Guidance literature:

With dichloro[1,3-bis(2,6-di-3-pentylphenyl)imidazol-2-ylidene](3-chloropyridyl)palladium(II); In tetrahydrofuran; for 2.16667h; Inert atmosphere;

DOI:10.1002/anie.201203547

Reference yield: 99.0%

1-Bromopentane (110-53-2) + phenolate (3229-70-7,42428-36-4) → (pentyloxy)benzene (2050-04-6)

Guidance literature:

With polystyrene-supported phosphonium salt; In water; at 110 ℃; for 1h;

upstream raw materials:

dipentyl sulfate

sodium phenoxide

1-Bromopentane

(5-iodo-pentyl)-phenyl ether

Downstream raw materials:

[2]furyl-(4-pentyloxy-phenyl)-ketone

1,5-bis-(4-pentyloxy-phenyl)-pentane-1,5-dione

4-pentyloxy-benzenesulfonic acid amide

(4-chloromethyl-phenyl)-pentyl ether

Refernces

• 1、 Hirao, Yuki,Kanai, Motomu,Katayama, Yuri,Mitsunuma, Harunobu. "Chromium-Catalyzed Linear-Selective Alkylation of Aldehydes with Alkenes". supporting information. . Retrieved 2020/11/18.
• 2、 Salvador, Tolani K.,Arnett, Charles H.,Kundu, Subrata,Sapiezynski, Nicholas G.,Bertke, Jeffery A.,Raghibi Boroujeni, Mahdi,Warren, Timothy H.. "Copper Catalyzed sp3 C-H Etherification with Acyl Protected Phenols". supporting information. p. 16580 - 16583. Retrieved 2017/01/10.