2-(Allyloxy)phenol

Base Information

• Chemical Name: 2-(Allyloxy)phenol
• CAS No.: 1126-20-1
• Molecular Formula: C9H10O2
• Molecular Weight: 150.177
• Hs Code.: 2909500000
• European Community (EC) Number: 214-418-8
• DSSTox Substance ID: DTXSID60150111
• Nikkaji Number: J203.365H
• Wikidata: Q72437367
• Metabolomics Workbench ID: 127503
• ChEMBL ID: CHEMBL2252444
• Mol file: 1126-20-1.mol

Synonyms:2-(allyloxy)phenol;1126-20-1;2-prop-2-enoxyphenol;2-allyloxyphenol;2-allyloxy-phenol;o-(Allyloxy)phenol;2-(2-Propenyloxy)phenol;Phenol, 2-(2-propenyloxy)-;EINECS 214-418-8;MFCD00072617;o-allyloxyphenol;1-hydroxy-2-allyloxybenzene;SCHEMBL1562951;2-(prop-2-en-1-yloxy)phenol;CHEMBL2252444;Phenol, 2-(-2-propenyloxy)-;DTXSID60150111;AKOS009315310;SB30758;AS-19966;SY115738;CS-0010474;FT-0691252;H11445;A802614

Chemical Property of 2-(Allyloxy)phenol

Chemical Property:

• Vapor Pressure: 0.0173mmHg at 25°C
• Melting Point: 30.2 °C
• Boiling Point: 246.4°Cat760mmHg
• PKA: 9.72±0.35(Predicted)
• Flash Point: 113.2°C
• PSA: 29.46000
• Density: 1.072g/cm³
• LogP: 1.95700
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: Dichloromethane
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 150.068079557
• Heavy Atom Count: 11
• Complexity: 123

Purity/Quality:

97% ^*data from raw suppliers

2-Allyloxyphenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCOC1=CC=CC=C1O
• Uses: 2-Allyloxyphenol, isolated from marine actinobacterium, possesses strong antioxidant property and has inhibitory effect towards some bacteria and fungi when applied at concentraions of 0.2-1.75 mg/mL. Used in the preparation of Oxprenolol (O870500), a β-Adrenergic blocker.

Technology Process of 2-(Allyloxy)phenol

There total 20 articles about 2-(Allyloxy)phenol 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%

2-(bromomethyl)-2,3-dihydrobenzo[1,4]dioxine (2164-34-3) + 1,2-disodiotetraphenylethane (7381-16-0) → 1,1,2,2-tetraphenylethylene (632-51-9) + 2-allyloxyphenol (1126-20-1)

Guidance literature:

In tetrahydrofuran; at 0 ℃; for 0.166667h;

DOI:10.1016/j.jorganchem.2007.05.039

Reference yield: 91.0%

benzene-1,2-diol (120-80-9,19481-10-8,37349-32-9) + allyl bromide (106-95-6) → 2-allyloxyphenol (1126-20-1)

Guidance literature:

With potassium carbonate; In acetone; at 50 ℃; for 18h;

DOI:10.1248/CPB.C20-00294

Reference yield: 90.0%

2-(allyloxy)benzaldehyde (28752-82-1) → 2-allyloxyphenol (1126-20-1)

Guidance literature:

With sulfuric acid; dihydrogen peroxide; boric acid; In tetrahydrofuran; water; at 20 ℃; for 15h;

DOI:10.1080/00397919908086017

upstream raw materials:

allyl benzenesulfonate

benzene-1,2-diol

allyl bromide

1-(2-(allyloxy)phenyl)-2-(tetrafluoro-λ⁵-boraneyl)diazene

Downstream raw materials:

4-allylpyrocatechol

3-(2-propenyl)-1,2-benzenediol

4-hydroxy-3-(2-propenyloxy)benzaldehyde

2-(2-allyloxy-phenoxymethyl)-4-isopropyl-morpholine