4-Methoxy-2-propylphenol

Base Information

• Chemical Name: 4-Methoxy-2-propylphenol
• CAS No.: 13391-31-6
• Molecular Formula: C10H14O2
• Molecular Weight: 166.22
• NSC Number: 149952
• DSSTox Substance ID: DTXSID10302284
• Nikkaji Number: J1.297.730A
• Wikidata: Q82046910
• Mol file: 13391-31-6.mol

Synonyms:4-methoxy-2-propylphenol;13391-31-6;NSC 149952;NSC149952;2-Propyl-4-methoxyphenol;3-n-Propyl-4-hydroxy-anisol;SCHEMBL10366349;DTXSID10302284;NSC-149952

Chemical Property of 4-Methoxy-2-propylphenol

Chemical Property:

• Vapor Pressure: 0.00334mmHg at 25°C
• Refractive Index: 1.519
• Boiling Point: 273.9 °C at 760 mmHg
• Flash Point: 127.2 °C
• Density: 1.031g/cm³
• XLogP3: 2.9
• 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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 4-Methoxy-2-propylphenol

There total 7 articles about 4-Methoxy-2-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: 94.0%

2-allyl-4-methoxyphenol (584-82-7) → 4-methoxy-2-propylphenol (13391-31-6)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethyl acetate; under 760 Torr; Ambient temperature;

DOI:10.1002/jccs.199800001

Reference yield: 66.0%

(2R,3R,4S,5R,6R)-2-(acetoxymethyl)-6-(3-formyl-4-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate → 4-methoxy-2-propylphenol (13391-31-6)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethanol; at 20 ℃; for 14h;

DOI:10.1002/anie.201915654

Reference yield: 13.0%

1-Pentyne (627-19-0) → 4-methoxy-2-propylphenol (13391-31-6)

Guidance literature:

In hexane; dichloromethane; at 50 ℃; for 13h; under 760 Torr;

DOI:10.1021/jo00090a024

upstream raw materials:

2-allyl-4-methoxyphenol

1-Pentyne

allyl (4-methoxyphenyl) ether

4-methoxy-phenol

Downstream raw materials:

4,4-dimethoxy-2-propyl-2,5-cyclohexadienone

Refernces

• 1、 Kozlowski, Marisa C.,Neuhaus, William C.. "Total Synthesis of Pyrolaside B: Phenol Trimerization through Sequenced Oxidative C?C and C?O Coupling". supporting information. p. 7842 - 7847. Retrieved 2020/04/03.
• 2、 Hong, Fang-Tsao,Lee, Kung-Shing,Tsai, Yow-Fu,Liao, Chun-Chen. "Photochemistry of Substituted 4,4-Dimethoxy-2,5-Cyclohexadienones". . p. 1 - 12. Retrieved 2007/10/03.