2-Methoxy-5-propylphenol

Base Information

• Chemical Name: 2-Methoxy-5-propylphenol
• CAS No.: 58539-27-8
• Molecular Formula: C10H14 O2
• Molecular Weight: 166.22
• European Community (EC) Number: 877-409-3
• DSSTox Substance ID: DTXSID20974097
• Nikkaji Number: J141.501H
• Wikidata: Q82958237
• Mol file: 58539-27-8.mol

Synonyms:2-methoxy-5-propylphenol;58539-27-8;5-propylguaiacol;Phenol, 2-methoxy-5-propyl-;2-METHOXY-5-PROPYL-PHENOL;Dihydrochavibetol;4-n-propylguaiacol;SCHEMBL901444;DTXSID20974097;TZUORCZPIKYDQG-UHFFFAOYSA-N;BBL028695;STL371292;AKOS006242589;2-methoxy-5-propyl-phenol, AldrichCPR;VS-08910;CS-0237179;EN300-179309;Z87001810

Chemical Property of 2-Methoxy-5-propylphenol

Chemical Property:

• Vapor Pressure: 0.00553mmHg at 25°C
• Melting Point: 21-22 °C
• Boiling Point: 265.6°Cat760mmHg
• PKA: 10.08±0.10(Predicted)
• Flash Point: 116.8°C
• PSA: 29.46000
• Density: 1.031g/cm³
• LogP: 2.35330
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 166.099379685
• Heavy Atom Count: 12
• Complexity: 125

Purity/Quality:

99% ^*data from raw suppliers

2-methoxy-5-propylphenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1=CC(=C(C=C1)OC)O

Technology Process of 2-Methoxy-5-propylphenol

There total 9 articles about 2-Methoxy-5-propylphenol 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:

dihydrosafrole (94-58-6) → 2-methoxy-4-n-propylphenol (2785-87-7) + 2-methoxy-4-propylphenol (58539-27-8)

Guidance literature:

With sodium methylate; at 140 - 150 ℃; man methyliert das Reaktionsprodukt mit Dimethylsulfat in Natronlauge und kocht das Methylierungsprodukt in waessrig-alkoholischer Salzsaeure;

Reference yield:

2-(benzyloxy)-5-ethyl-1-methoxy-3-(2-methoxy-4-propylphenoxy)benzene → 3-n-propylphenol (621-27-2) + 4-ethylcatechol (1124-39-6) + 4-Ethylguaiacol (2785-89-9) + 2-methoxy-4-propylphenol (58539-27-8) + 5-ethylbenzene-1,2,3-triol (66125-16-4) + 4-propylbenzene-1,2-diol (2525-02-2) + 3-propylanisole (62103-69-9) + 5-ethyl-3-methoxybenzene-1,2-diol (7452-04-2)

Guidance literature:

2-(benzyloxy)-5-ethyl-1-methoxy-3-(2-methoxy-4-propylphenoxy)benzene; With platinum-nickel nanoclusters on activated carbon; hydrogen; potassium hexamethylsilazane; In m-xylene; at 180 ℃; for 24h; under 775.743 Torr;

With N,O-Bis(trimethylsilyl)trifluoroacetamide; In m-xylene; at 65 ℃; for 1h; Overall yield = 85 %;

DOI:10.1002/anie.201509133

Reference yield:

4-ethyl-2-methoxy-6-(2-methoxy-4-propylphenoxy)phenol → 3-n-propylphenol (621-27-2) + 4-ethylcatechol (1124-39-6) + 4-Ethylguaiacol (2785-89-9) + 2-methoxy-4-propylphenol (58539-27-8) + 5-ethylbenzene-1,2,3-triol (66125-16-4) + 4-propylbenzene-1,2-diol (2525-02-2) + 3-propylanisole (62103-69-9) + 5-ethyl-3-methoxybenzene-1,2-diol (7452-04-2)

Guidance literature:

4-ethyl-2-methoxy-6-(2-methoxy-4-propylphenoxy)phenol; With platinum-nickel nanoclusters on activated carbon; hydrogen; potassium hexamethylsilazane; In m-xylene; at 180 ℃; for 24h; under 775.743 Torr;

With N,O-Bis(trimethylsilyl)trifluoroacetamide; In m-xylene; at 65 ℃; for 1h; Overall yield = 78 %;

DOI:10.1002/anie.201509133

upstream raw materials:

dihydrosafrole

isovanillin

2-methoxy-4-n-propylphenol

piperidine

Downstream raw materials:

4-propylbenzene-1,2-diol