2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol

Base Information

• Chemical Name: 2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol
• CAS No.: 71046-09-8
• Molecular Formula: C13H20O5
• Molecular Weight: 256.299
• DSSTox Substance ID: DTXSID90437588
• Nikkaji Number: J494.302C
• Metabolomics Workbench ID: 49003
• Mol file: 71046-09-8.mol

Synonyms:2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol;2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]propane-1,3-diol;71046-09-8;DTXSID90437588;CHEBI:174363;1,3-Propanediol, 2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]-;2-[2-Methoxy-4-(3-hydroxypropyl)phenoxy]-1,3-propanediol

Chemical Property of 2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol

Chemical Property:

• XLogP3: 0.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 256.13107373
• Heavy Atom Count: 18
• Complexity: 208

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol

There total 1 articles about 2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol 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:

1-O-(β-D-glucopyranosyl)-2-<2-methoxy-4-(ω-hydroxypropyl)-phenoxy>-propan-3-ol (68340-35-2) → 4-O-(2-hydroxy-1-hydroxymethylethyl)dihydroconiferyl alcohol (71046-09-8)

Guidance literature:

fungal enzyme preparation Novoferm 12 and sweet almond β-D-glucosidase;

DOI:10.1016/0031-9422(92)80464-P

Reference yield:

acetic anhydride (108-24-7) + 4-O-(2-hydroxy-1-hydroxymethylethyl)dihydroconiferyl alcohol (71046-09-8) → 2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]propane-1,3-diol triacetate

Guidance literature:

With pyridine; Ambient temperature;

DOI:10.1248/cpb.40.2461

upstream raw materials:

1-O-(β-D-glucopyranosyl)-2-<2-methoxy-4-(ω-hydroxypropyl)-phenoxy>-propan-3-ol