1,3-Propanediol, 2-(2,5-dimethoxy-4-methylphenyl)-

Base Information

• Chemical Name: 1,3-Propanediol, 2-(2,5-dimethoxy-4-methylphenyl)-
• CAS No.: 289507-47-7
• Molecular Formula: C12H18O4
• Molecular Weight: 226.273
• DSSTox Substance ID: DTXSID80442787
• Nikkaji Number: J1.375.861A
• Wikidata: Q82260280

Synonyms:1,3-Propanediol, 2-(2,5-dimethoxy-4-methylphenyl)-;289507-47-7;DTXSID80442787;2-(2,5-Dimethoxy-4-methylphenyl)-1,3-propanediol

Chemical Property of 1,3-Propanediol, 2-(2,5-dimethoxy-4-methylphenyl)-

Chemical Property:

• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 226.12050905
• Heavy Atom Count: 16
• Complexity: 194

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1OC)C(CO)CO)OC

Technology Process of 1,3-Propanediol, 2-(2,5-dimethoxy-4-methylphenyl)-

There total 1 articles about 1,3-Propanediol, 2-(2,5-dimethoxy-4-methylphenyl)- 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: 93.0%

2-tert-Butyl-5-(2,5-dimethoxy-4-methylphenyl)-4,5-dihydro-1,3-dioxepine → 2-(2,5-dimethoxy-4-methyl-phenyl)-propane-1,3-diol (289507-47-7)

Guidance literature:

2-tert-Butyl-5-(2,5-dimethoxy-4-methylphenyl)-4,5-dihydro-1,3-dioxepine; With ozone; In methanol;

With sodium tetrahydroborate; Further stages.;

DOI:10.1039/b003553j

Reference yield: 87.0%

vinyl acetate (108-05-4,9003-20-7) + 2-(2,5-dimethoxy-4-methyl-phenyl)-propane-1,3-diol (289507-47-7) → (S)-2-(2,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl acetate (289507-48-8)

Guidance literature:

With Candida antarctica lipase; In diethyl ether; at 20 ℃;

DOI:10.1039/b003553j

Reference yield:

vinyl acetate (108-05-4,9003-20-7) + 2-(2,5-dimethoxy-4-methyl-phenyl)-propane-1,3-diol (289507-47-7) → (S)-2-(2,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl acetate (289507-48-8) + (R)-2-(2,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl acetate

Guidance literature:

PP lipase; In diethyl ether; at 20 ℃; for 34h; Title compound not separated from byproducts;

DOI:10.3987/COM-05-S(K)21

Downstream raw materials:

(S)-2-(2,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl acetate

(S)-(+)-Curcuhydroquinone

(S)-(-)-Curcuquinone

(S)-2-(2,5-dimethoxy-4-methylphenyl)propan-1-ol

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