[2,5-Dihexoxy-4-(hydroxymethyl)phenyl]methanol

Base Information

• Chemical Name: [2,5-Dihexoxy-4-(hydroxymethyl)phenyl]methanol
• CAS No.: 158982-83-3
• Molecular Formula: C₂₀H₃₄O₄
• Molecular Weight: 338.488
• DSSTox Substance ID: DTXSID20409091
• Nikkaji Number: J2.451.346G
• Wikidata: Q82214782
• Mol file: 158982-83-3.mol

Synonyms:[2,5-dihexoxy-4-(hydroxymethyl)phenyl]methanol;158982-83-3;2,5-Bis(hexyloxy)-1,4-bis(hydroxymethyl)benzene;SCHEMBL7774230;DTXSID20409091;AKOS015910843;[2,5-Bis(hexyloxy)-1,4-phenylene]dimethanol

Chemical Property of [2,5-Dihexoxy-4-(hydroxymethyl)phenyl]methanol

Chemical Property:

• Melting Point: 89.5-93.5 °C(lit.)
• Boiling Point: 483.9±40.0 °C(Predicted)
• PKA: 13.79±0.10(Predicted)
• PSA: 58.92000
• Density: 1.025±0.06 g/cm3(Predicted)
• LogP: 4.58940
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 14
• Exact Mass: 338.24570956
• Heavy Atom Count: 24
• Complexity: 257

Purity/Quality:

99% ^*data from raw suppliers

2,5-BIS(HEXYLOXY)-1,4-BIS(HYDROXYMETHYL)BENZENE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCOC1=CC(=C(C=C1CO)OCCCCCC)CO

Technology Process of [2,5-Dihexoxy-4-(hydroxymethyl)phenyl]methanol

There total 5 articles about [2,5-Dihexoxy-4-(hydroxymethyl)phenyl]methanol 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: 84.0%

C24H38O6 → C20H34O4 (158982-83-3)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 20 ℃; for 3h;

DOI:10.1246/cl.150292

Reference yield:

hydroquinone (123-31-9,8027-02-9) → C20H34O4 (158982-83-3)

Guidance literature:

Multi-step reaction with 4 steps

1: potassium carbonate / acetonitrile / 18 h / 90 °C

2: hydrogen bromide / acetic acid / 5.5 h / 70 °C

3: tetrabutylammomium bromide / acetonitrile; chloroform / 16 h / 90 °C

4: lithium aluminium tetrahydride / tetrahydrofuran / 3 h / 20 °C

With lithium aluminium tetrahydride; tetrabutylammomium bromide; hydrogen bromide; potassium carbonate; In tetrahydrofuran; chloroform; acetic acid; acetonitrile;

DOI:10.1246/cl.150292

Reference yield:

1-bromo-hexane (111-25-1) → C20H34O4 (158982-83-3)

Guidance literature:

Multi-step reaction with 4 steps

1: potassium carbonate / acetonitrile / 18 h / 90 °C

2: hydrogen bromide / acetic acid / 5.5 h / 70 °C

3: tetrabutylammomium bromide / acetonitrile; chloroform / 16 h / 90 °C

4: lithium aluminium tetrahydride / tetrahydrofuran / 3 h / 20 °C

With lithium aluminium tetrahydride; tetrabutylammomium bromide; hydrogen bromide; potassium carbonate; In tetrahydrofuran; chloroform; acetic acid; acetonitrile;

DOI:10.1246/cl.150292

upstream raw materials:

1-bromo-hexane

hydroquinone

1,4-dihexyloxybenzene

1,4-bis(hexyloxy)-2,5-bis(bromomethyl)benzene