3-(4-Hydroxy-3-methoxyphenyl)propane-1,2-diol

Base Information

• Chemical Name: 3-(4-Hydroxy-3-methoxyphenyl)propane-1,2-diol
• CAS No.: 220006-74-6
• Molecular Formula: C₁₀H₁₄O₄
• Molecular Weight: 198.219
• DSSTox Substance ID: DTXSID20950078
• Nikkaji Number: J1.022.112I
• Wikidata: Q27215721
• Metabolomics Workbench ID: 45882
• Mol file: 220006-74-6.mol

Synonyms:4-hydroxy-3-methoxyphenyl-1-propane-1,2-diol;vanillyl glycol

Chemical Property of 3-(4-Hydroxy-3-methoxyphenyl)propane-1,2-diol

Chemical Property:

• XLogP3: -0.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 198.08920892
• Heavy Atom Count: 14
• Complexity: 162

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 3-(4-Hydroxy-3-methoxyphenyl)propane-1,2-diol

There total 6 articles about 3-(4-Hydroxy-3-methoxyphenyl)propane-1,2-diol 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: 82.36%

2‐methoxy‐4‐(oxiran‐2‐ylmethyl)phenol (53940-49-1) → 3'-(4-hydroxy-3-methoxyphenyl)propane-1,2-diol (27391-18-0,220006-74-6)

Guidance literature:

With sulfuric acid; water; In dichloromethane; at 20 ℃; for 24h;

DOI:10.2174/1570178617999200807213745

Reference yield: 73.0%

3-{4-(benzyloxy)-3-methoxyphenyl}propane-1,2-diol → 3'-(4-hydroxy-3-methoxyphenyl)propane-1,2-diol (27391-18-0,220006-74-6)

Guidance literature:

With 5%-palladium/activated carbon; hydrogen; In methanol; at 20 ℃; Inert atmosphere;

DOI:10.1016/j.ejmech.2014.01.016

Reference yield:

stroside B → D-glucose (50-99-7) + 3'-(4-hydroxy-3-methoxyphenyl)propane-1,2-diol (27391-18-0,220006-74-6)

Guidance literature:

With β-glucosidase; In water; at 37 ℃; for 48h; Enzymatic reaction;

DOI:10.3987/COM-15-13328

upstream raw materials:

2‐methoxy‐4‐(oxiran‐2‐ylmethyl)phenol

4-allylguaiacol

4-allyl-1-benzyloxy-2-methoxybenzene

Downstream raw materials:

3-(3,4-dimethoxyphenyl)propane-1,2-diol

(R)-3-3(3,4-dimethoxyphenyl)propane-1,2-diol