Phenol, 2-[3-(3-methoxyphenyl)propyl]-

Base Information

• Chemical Name: Phenol, 2-[3-(3-methoxyphenyl)propyl]-
• CAS No.: 140479-97-6
• Molecular Formula: C16H18O2
• Molecular Weight: 242.318
• DSSTox Substance ID: DTXSID80441795
• Wikidata: Q82258740
• Mol file: 140479-97-6.mol

Synonyms:Phenol, 2-[3-(3-methoxyphenyl)propyl]-;140479-97-6;SCHEMBL19900978;DTXSID80441795

Chemical Property of Phenol, 2-[3-(3-methoxyphenyl)propyl]-

Chemical Property:

• XLogP3: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 242.130679813
• Heavy Atom Count: 18
• Complexity: 229

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC(=C1)CCCC2=CC=CC=C2O

Technology Process of Phenol, 2-[3-(3-methoxyphenyl)propyl]-

There total 2 articles about Phenol, 2-[3-(3-methoxyphenyl)propyl]- 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: 91.0%

2'-hydroxy-3-methoxy-chalcone (34000-28-7,7146-86-3) → 2-[3-(3-methoxyphenyl)propyl]phenol (140479-97-6)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethanol; at 20 ℃; for 3h; under 760.051 Torr; Green chemistry;

DOI:10.1002/adsc.202000892

Reference yield:

2,3-dihydro-2-(3-methoxyphenyl)-4H-1-benzopyran-4-one (67765-54-2,93514-38-6,127179-85-5) → 2-(3-methoxy-phenyl)-chroman (73110-71-1,93514-25-1) + 2-[3-(3-methoxyphenyl)propyl]phenol (140479-97-6) + 2-{3-(3-Methoxy-phenyl)-3-[2-(3-methoxy-phenyl)-chroman-6-yl]-propyl}-phenol (140480-01-9)

Guidance literature:

With sodium cyanoborohydride; In trifluoroacetic acid; for 1h; Yield given; Ambient temperature;

Reference yield:

2-[3-(3-methoxyphenyl)propyl]phenol (140479-97-6) + 1-t-butoxycarbonyl-3-(p-toluenesulfonyloxymethyl)piperidine (191092-05-4) → 3-{2-[3-(3-methoxy-phenyl)-propyl]-phenoxymethyl}-piperidine-1-carboxylic acid tert-butyl ester

Guidance literature:

2-[3-(3-methoxyphenyl)propyl]phenol; With potassium tert-butylate; In N,N-dimethyl acetamide; at 0 ℃; for 0.166667h;

1-t-butoxycarbonyl-3-(p-toluenesulfonyloxymethyl)piperidine; In N,N-dimethyl acetamide; at 20 ℃;

DOI:10.1248/cpb.48.245

upstream raw materials:

2,3-dihydro-2-(3-methoxyphenyl)-4H-1-benzopyran-4-one

2'-hydroxy-3-methoxy-chalcone