Benzene, 1,1'-(1,3-propanediyl)bis[3,4-dimethoxy-

Base Information

• Chemical Name: Benzene, 1,1'-(1,3-propanediyl)bis[3,4-dimethoxy-
• CAS No.: 52247-01-5
• Molecular Formula: C19H24O4
• Molecular Weight: 316.397
• ChEMBL ID: CHEMBL4103633
• DSSTox Substance ID: DTXSID80472529
• Nikkaji Number: J1.050.582H
• Wikidata: Q82301503

Synonyms:diveratrylmethane;52247-01-5;Benzene, 1,1'-(1,3-propanediyl)bis[3,4-dimethoxy-;CHEMBL4103633;DTXSID80472529

Chemical Property of Benzene, 1,1'-(1,3-propanediyl)bis[3,4-dimethoxy-

Chemical Property:

• PSA: 36.92000
• LogP: 3.89630
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 316.16745924
• Heavy Atom Count: 23
• Complexity: 293

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)CCCC2=CC(=C(C=C2)OC)OC)OC

Technology Process of Benzene, 1,1'-(1,3-propanediyl)bis[3,4-dimethoxy-

There total 7 articles about Benzene, 1,1'-(1,3-propanediyl)bis[3,4-dimethoxy- 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: 82.0%

4,4’-(prop-1-ene-1,3-diyl)bis(1,2-dimethoxybenzene) → 1,3-bis(3,4-dimethoxyphenyl)propane (52247-01-5)

Guidance literature:

With palladium on activated charcoal; hydrogen; In methanol; ethyl acetate; at 20 ℃; for 24h;

DOI:10.1016/j.ejmech.2019.111910

Reference yield: 79.0%

1,3-bis(3,4-dimethoxyphenyl)propane-1-one (4087-62-1) → 1,3-bis(3,4-dimethoxyphenyl)propane (52247-01-5)

Guidance literature:

With hydrogenchloride; zinc amalgam; In water; toluene; for 24h; Inert atmosphere; Reflux;

DOI:10.1002/anie.201609695

Reference yield:

1,2-dimethoxy-4-(2-propenyl)benzene (93-15-2) + triethylaluminum (97-93-8) → 1,3-bis(3,4-dimethoxyphenyl)propane (52247-01-5) + C17H29AlO2 + C15H23AlO2

Guidance literature:

With zirconocene dichloride; In hexane; toluene; at 22 ℃; Inert atmosphere;

DOI:10.1134/S107042801612006X

upstream raw materials:

1,3-bis(3,4-dimethoxyphenyl)propane-1-one

3,4-dimethoxyphenylacetaldehyde

1-(3,4-dimethoxyphenyl)ethanone

1,3‐bis(3,4‐dimethoxyphenyl)prop‐2‐en‐1‐one

Downstream raw materials:

1,3-Bis(3',4'-dihydroxyphenyl)-propane

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