2-Allyl-4,5-dimethoxyphenol

Base Information

• Chemical Name: 2-Allyl-4,5-dimethoxyphenol
• CAS No.: 59893-87-7
• Molecular Formula: C11H14O3
• Molecular Weight: 194.23
• European Community (EC) Number: 824-178-1
• DSSTox Substance ID: DTXSID20451252
• Nikkaji Number: J61.277D
• Wikidata: Q72468455
• Metabolomics Workbench ID: 122387
• ChEMBL ID: CHEMBL1163202
• Mol file: 59893-87-7.mol

Synonyms:2-allyl-4,5-dimethoxyphenol

Chemical Property of 2-Allyl-4,5-dimethoxyphenol

Chemical Property:

• Melting Point: 38-41 °C
• Boiling Point: 313.926 °C at 760 mmHg
• PKA: 10.42±0.23(Predicted)
• Flash Point: 143.657 °C
• PSA: 38.69000
• Density: 1.077±0.06 g/cm3(Predicted)
• LogP: 2.13790
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 194.094294304
• Heavy Atom Count: 14
• Complexity: 181

Purity/Quality:

98%min ^*data from raw suppliers

2-Allyl-4,5-dimethoxyphenol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C(=C1)CC=C)O)OC

Technology Process of 2-Allyl-4,5-dimethoxyphenol

There total 10 articles about 2-Allyl-4,5-dimethoxyphenol 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: 97.0%

4-(allyloxy)-1,2-dimethoxybenzene (6906-64-5) → 2-hydroxy-4,5-dimethoxyallylbenzene (59893-87-7)

Guidance literature:

DOI:10.1124/dmd.111.038851

Reference yield: 86.0%

4-[(allyloxy)methyl]-1,2-dimethoxybenzene (268202-08-0) → 2-hydroxy-4,5-dimethoxyallylbenzene (59893-87-7)

Guidance literature:

With decalin; at 220 ℃; for 12h;

DOI:10.1016/j.bmc.2010.04.096

Reference yield: 83.0%

4-(allyloxy)-1,2-dimethoxybenzene (6906-64-5) → 3,4-dimethoxy-2-(2-propenyl)phenol (66967-26-8) + 2-hydroxy-4,5-dimethoxyallylbenzene (59893-87-7)

Guidance literature:

In neat (no solvent); at 235 - 240 ℃; for 0.75h;

DOI:10.1021/ja00400a039

upstream raw materials:

2-allyloxy-4,5-dimethoxy-benzoic acid

N,N-dimethyl-aniline

4-(allyloxy)-1,2-dimethoxybenzene

3,4-dimethoxyphenol

Downstream raw materials:

Acetic acid (1S,2R)-2-((R)-5-allyl-1,2-dimethoxy-4-oxo-cyclohexa-2,5-dienyl)-1-(3,4-dimethoxy-phenyl)-propyl ester

5,6-dimethoxy-3-phenyl-1H-indene

Refernces

• 1、 Hui, Zi,Jiang, Songwei,Qi, Xiang,Ye, Xiang-Yang,Xie, Tian. "Investigating the microwave-accelerated Claisen rearrangement of allyl aryl ethers: Scope of the catalysts, solvents, temperatures, and substrates". supporting information. . Retrieved 2020/05/18.
• 2、 Cartus, Alexander T.,Merz, Karl-Heinz,Schrenk, Dieter. "Metabolism of methylisoeugenol in liver microsomes of human, rat, and bovine origin". experimental part. p. 1727 - 1733. Retrieved 2012/03/22.