1,3-Propanediol, 1-(4-methoxyphenyl)-

Base Information

• Chemical Name: 1,3-Propanediol, 1-(4-methoxyphenyl)-
• CAS No.: 70760-15-5
• Molecular Formula: C10H14O3
• Molecular Weight: 182.219
• DSSTox Substance ID: DTXSID50434851
• Nikkaji Number: J293.548A
• Mol file: 70760-15-5.mol

Synonyms:1,3-Propanediol, 1-(4-methoxyphenyl)-;1-(4-methoxyphenyl)propane-1,3-diol;70760-15-5;SCHEMBL4450372;DTXSID50434851

Chemical Property of 1,3-Propanediol, 1-(4-methoxyphenyl)-

Chemical Property:

• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 182.094294304
• Heavy Atom Count: 13
• Complexity: 130

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,3-Propanediol, 1-(4-methoxyphenyl)-

There total 15 articles about 1,3-Propanediol, 1-(4-methoxyphenyl)- 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: 94.0%

ethyl 4-methoxybenzoylacetate (2881-83-6) → 1-(4'-Methoxyphenyl)-1,3-propanediol (70760-15-5)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 20 ℃; for 3h;

DOI:10.1016/j.tet.2010.04.062

Reference yield: 86.0%

3-(4-methoxy-phenyl)-3-oxo-propionaldehyde (31706-15-7) → 1-(4'-Methoxyphenyl)-1,3-propanediol (70760-15-5)

Guidance literature:

With ammonium hydroxide; titanium(III) chloride; In methanol; at 20 - 25 ℃; for 0.0833333h; pH=10 - 11;

DOI:10.1002/1099-0690(200210)2002:19<3326::AID-EJOC3326>3.0.CO;2-V

Reference yield: 83.0%

3-hydroxy-2-(2-methoxyphenoxy)-1-(4-methoxyphenyl)propan-1-one (92409-23-9) → 1-(4'-Methoxyphenyl)-1,3-propanediol (70760-15-5) + 2-methoxy-phenol (90-05-1)

Guidance literature:

With formic acid; (4,4'-di-tert-butyl-2,2'-dipyridyl)-bis-(2-phenylpyridine(-1H))-iridium(III) hexafluorophosphate; N-ethyl-N,N-diisopropylamine; In acetonitrile; at 20 ℃; for 32h; chemoselective reaction; Irradiation; Green chemistry;

DOI:10.1021/acscatal.8b04172

upstream raw materials:

4-methoxy-benzaldehyde

4-methoxyphenylcyclopropane

3-(4-methoxy-phenyl)-3-oxo-propionaldehyde

1-(4-methoxyphenyl)but-3-en-1-ol

Downstream raw materials:

4-methoxycinnamaldehyde

4-methoxy-benzaldehyde

C₁₇H₂₀O₅S

C₂₆H₄₁NO₇Si