Methyleugenolglycol

Base Information

• Chemical Name: Methyleugenolglycol
• CAS No.: 26509-45-5
• Molecular Formula: C₁₁H₁₆O₄
• Molecular Weight: 212.246
• DSSTox Substance ID: DTXSID70949371
• Nikkaji Number: J50.803I
• ChEMBL ID: CHEMBL376901
• Mol file: 26509-45-5.mol

Synonyms:METHYLEUGENOLGLYCOL;26509-45-5;3-(3,4-dimethoxyphenyl)propane-1,2-diol;CHEMBL376901;3-(3,4-dimethoxyphenyl)-propane-1,2-diol;3-(3,4-Dimethoxyphenyl)-1,2-propanediol;3-(3,4-Dimethoxyphenyl)propane-1,2-diol;2,3-Propanediol, 1-(3,4-dimethoxyphenyl)-;Oprea1_146476;SCHEMBL9561046;DTXSID70949371;NZKYZDCTLPYISK-UHFFFAOYSA-N;BBA50945;BDBM50370887;AKOS025288302;FS-8757;AI-942/13331556

Chemical Property of Methyleugenolglycol

Chemical Property:

• Vapor Pressure: 1.69E-06mmHg at 25°C
• Melting Point: 63 - 64 °C (diethyl ether)
• Refractive Index: 1.4389 (estimate)
• Boiling Point: 381.4°C at 760 mmHg
• Flash Point: 184.5°C
• PSA: 58.92000
• Density: 1.165g/cm³
• LogP: 0.59950
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 212.10485899
• Heavy Atom Count: 15
• Complexity: 174

Purity/Quality:

99% ^*data from raw suppliers

Methyleugenolglycol ^*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(CO)O)OC

Technology Process of Methyleugenolglycol

There total 18 articles about Methyleugenolglycol 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: 96.0%

(Z)-3-(3,4-Dimethoxy-phenyl)-2-hydroxy-acrylic acid methyl ester (188896-01-7) → 3-(3,4-dimethoxyphenyl)propane-1,2-diol (54844-36-9,54910-32-6,26509-45-5)

Guidance literature:

With sodium tetrahydroborate; In ethanol; at 20 ℃; for 1h;

DOI:10.1016/S0040-4039(97)00154-8

Reference yield: 69.0%

4-(2,3-epoxypropyl)-1,2-dimethoxybenzene (27602-80-8) → 3-(3,4-dimethoxyphenyl)propane-1,2-diol (54844-36-9,54910-32-6,26509-45-5)

Guidance literature:

With potassium hydroxide; In water; at 25 ℃; for 2h; Reflux;

DOI:10.1124/dmd.111.038851

Reference yield: 63.0%

3-<3,4-dimethoxyphenyl>-2-oxo propanol (78886-14-3) → 3-(3,4-dimethoxyphenyl)propane-1,2-diol (54844-36-9,54910-32-6,26509-45-5)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 20 ℃; for 0.5h; Inert atmosphere;

DOI:10.1039/c6ob01915c

upstream raw materials:

1,2-dimethoxy-4-(2-propenyl)benzene

(E)-3',4'-dimethoxycinnamyl alcohol

(Z)-3-(3,4-dimethoxyphenyl)-2-propen-1-ol

3,4-dimethoxycinnamaldehyde

Downstream raw materials:

3,4-dimethoxyphenylacetaldehyde

1,2-diacetoxy-3-(3,4-dimethoxy-phenyl)-propane

Refernces

• 1、 Miles-Barrett, Daniel M.,Neal, Andrew R.,Hand, Calum,Montgomery, James R.D.,Panovic, Isabella,Ojo, O. Stephen,Lancefield, Christopher S.,Cordes, David B.,Slawin, Alexandra M.Z.,Lebl, Tomas,Westwood, Nicholas J.. "The synthesis and analysis of lignin-bound Hibbert ketone structures in technical lignins". supporting information. p. 10023 - 10030. Retrieved 2016/11/06.
• 2、 Van Den Broek, Bas A. M. W.,Becker, René,K?ssl, Florian,Delville, Mari?lle M. E.,Nieuwland, Pieter J.,Koch, Kaspar,Rutjes, Floris P. J. T.. "Prilezhaev dihydroxylation of olefins in a continuous flow process". experimental part. p. 289 - 292. Retrieved 2012/06/01.