3-(4-Methoxyphenoxy)propanol

Base Information

• Chemical Name: 3-(4-Methoxyphenoxy)propanol
• CAS No.: 118943-21-8
• Molecular Formula: C10H14 O3
• Molecular Weight: 182.219
• NSC Number: 190726
• DSSTox Substance ID: DTXSID00307324
• Nikkaji Number: J2.964.801H
• Wikidata: Q82054696
• Mol file: 118943-21-8.mol

Synonyms:3-(4-Methoxyphenoxy)propanol;118943-21-8;3-(4-methoxyphenoxy)propan-1-ol;3-(4-Methoxyphenoxy)-1-propanol;3-(4-METHOXYPHENOXY)-1-PROPANOL 98;NSC190726;SCHEMBL970989;DTXSID00307324;WMPCMSDCGYUKGU-UHFFFAOYSA-N;3-(4-Methoxyphenoxy)propanol,98%;MFCD04974084;3-(4-Methoxyphenoxy)propanol, 98%;AKOS005363329;NSC-190726;A1-23255;J-003924

Chemical Property of 3-(4-Methoxyphenoxy)propanol

Chemical Property:

• Vapor Pressure: 0.000469mmHg at 25°C
• Refractive Index: 1.512
• Boiling Point: 301.4°C at 760 mmHg
• PKA: 14.78±0.10(Predicted)
• Flash Point: 136.1°C
• PSA: 38.69000
• Density: 1.084g/cm³
• LogP: 1.45640
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 182.094294304
• Heavy Atom Count: 13
• Complexity: 119

Purity/Quality:

95% ^*data from raw suppliers

3-(4-Methoxyphenoxy)propanol 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-(4-Methoxyphenoxy)propanol

There total 7 articles about 3-(4-Methoxyphenoxy)propanol 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: 92.0%

1-[3-(4-iodo-3-methoxy-3-methylbutoxy)propoxy]-4-methoxybenzene (1141498-12-5) → 3-(4-methoxyphenoxy)-1-propanol (118943-21-8)

Guidance literature:

With N¹,N¹,N¹²,N¹²-tetramethyl-7,8-dihydro-6H-dipyrido[1,2-a:2,1'-c][1,4]diazepine-2,12-diamine; In N,N-dimethyl-formamide; mineral oil; at 20 ℃; Inert atmosphere;

DOI:10.1039/c0ob01282c

Reference yield: 85.0%

4-methoxy-phenol (150-76-5) + 1-bromo-3-propanol (627-18-9) → 3-(4-methoxyphenoxy)-1-propanol (118943-21-8)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 48h;

Reference yield: 67.0%

4-methoxy-phenol (150-76-5) + 1-chloro-3-hydroxypropane (627-30-5) → 3-(4-methoxyphenoxy)-1-propanol (118943-21-8)

Guidance literature:

4-methoxy-phenol; With ethanol; sodium; at 20 ℃; for 0.5h; Inert atmosphere;

1-chloro-3-hydroxypropane; at 20 ℃; for 9h; Inert atmosphere; Reflux;

DOI:10.1021/ol300221e

upstream raw materials:

4-methoxy-phenol

1-chloro-3-hydroxypropane

1-[3-(4-iodo-3-methoxy-3-methylbutoxy)propoxy]-4-methoxybenzene

1-bromo-3-propanol

Downstream raw materials:

1-(3-bromopropoxy)-4-methoxybenzene

3-(2,5-bis(chloromethyl)-4-methoxyphenoxy)propan-1-ol

C₁₄H₁₅N₂O₅S^(1-)*Na⁽¹⁺⁾

C₁₄H₁₆N₂O₃

Refernces

• 1、 Abatematteo, Francesca S.,Mosier, Philip D.,Niso, Mauro,Brunetti, Leonardo,Berardi, Francesco,Loiodice, Fulvio,Contino, Marialessandra,Delprat, Benjamin,Maurice, Tangui,Laghezza, Antonio,Abate, Carmen. "Development of novel phenoxyalkylpiperidines as high-affinity Sigma-1 (σ1) receptor ligands with potent anti-amnesic effect". . . Retrieved 2021/12/14.
• 2、 Weng, Wei-Zhi,Liang, Hao,Zhang, Bo. "Visible-Light-Mediated Aerobic Oxidation of Organoboron Compounds Using in Situ Generated Hydrogen Peroxide". . p. 4979 - 4983. Retrieved 2018/08/24.