4-Pentoxytoluene

Base Information

• Chemical Name: 4-Pentoxytoluene
• CAS No.: 33426-70-9
• Molecular Formula: C12H18 O
• Molecular Weight: 178.274
• European Community (EC) Number: 251-515-4
• UNII: 7BV963929F
• DSSTox Substance ID: DTXSID0067765
• Nikkaji Number: J155.055A
• Wikidata: Q81994409
• Mol file: 33426-70-9.mol

Synonyms:4-Pentoxytoluene;33426-70-9;p-(Pentyloxy)toluene;Benzene, 1-methyl-4-(pentyloxy)-;EINECS 251-515-4;p-Pentyloxytoluene;Pentyl p-tolyl ether;4-Methylphenylpentyl ether;1-methyl-4-(pentyloxy)benzene;SCHEMBL6377570;4-Methylphenol, n-pentyl ether;DTXSID0067765;AKOS006230708;7BV963929F

Chemical Property of 4-Pentoxytoluene

Chemical Property:

• Vapor Pressure: 0.0332mmHg at 25°C
• Boiling Point: 251°Cat760mmHg
• Flash Point: 108.5°C
• PSA: 9.23000
• Density: 0.91g/cm³
• LogP: 3.56400
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 178.135765193
• Heavy Atom Count: 13
• Complexity: 114

Purity/Quality:

99% ^*data from raw suppliers

PARA-(PENTYLOXY)TOLUENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCOC1=CC=C(C=C1)C

Technology Process of 4-Pentoxytoluene

There total 14 articles about 4-Pentoxytoluene 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: 97.0%

pentan-1-ol (71-41-0) + para-bromotoluene (106-38-7) → 1-(4-Methylphenoxy)pentane (33426-70-9)

Guidance literature:

pentan-1-ol; With lithium tert-butoxide; at 20 ℃; for 0.0833333h;

para-bromotoluene; With copper(l) iodide; at 20 - 110 ℃; Sealed tube;

DOI:10.1055/s-0030-1260761

Reference yield: 94.0%

pentan-1-ol (71-41-0) + 4-tolyl iodide (624-31-7) → 1-(4-Methylphenoxy)pentane (33426-70-9)

Guidance literature:

With copper(l) iodide; lithium tert-butoxide; at 110 ℃;

DOI:10.1055/s-0030-1260761

Reference yield: 33.0%

pentan-1-ol (71-41-0) + bis(4-methylphenyl)(trifluoromethanesulfonato)-λ3-iodane → 1-(4-Methylphenoxy)pentane (33426-70-9)

Guidance literature:

pentan-1-ol; With sodium t-butanolate; In toluene; at 0 - 20 ℃; for 0.25h; Inert atmosphere; Schlenk technique;

bis(4-methylphenyl)(trifluoromethanesulfonato)-λ³-iodane; With piperidine; In toluene; at 0 - 20 ℃; for 1h; Inert atmosphere; Schlenk technique;

DOI:10.1002/chem.201703057

upstream raw materials:

1-Bromo-5-(2-bromo-4-methylphenoxy)pentane

1,5-dibromo-pentane

2-bromo-p-cresol

pentan-1-ol