alpha-(4-Hydroxyphenethyl)benzaldehyde

Base Information

• Chemical Name: alpha-(4-Hydroxyphenethyl)benzaldehyde
• CAS No.: 17791-25-2
• Molecular Formula: C15H14O2
• Molecular Weight: 226.275
• NSC Number: 179363
• DSSTox Substance ID: DTXSID40306694
• Nikkaji Number: J2.948.348E
• Wikidata: Q82053899
• ChEMBL ID: CHEMBL493025

Synonyms:NSC179363;17791-25-2;CHEMBL493025;SCHEMBL1076586;DTXSID40306694;WYRIUKIUHKMEJX-UHFFFAOYSA-N;AKOS017552850;NSC-179363;3-(4-hydroxyphenyl)-1-phenyl-1-propanone;3-(4-Hydroxy-phenyl)-1-phenyl-propan-1-one

Chemical Property of alpha-(4-Hydroxyphenethyl)benzaldehyde

Chemical Property:

• Vapor Pressure: 2.08E-07mmHg at 25°C
• Boiling Point: 413°C at 760 mmHg
• Flash Point: 176.3°C
• Density: 1.15g/cm³
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 226.099379685
• Heavy Atom Count: 17
• Complexity: 235

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)CCC2=CC=C(C=C2)O

Technology Process of alpha-(4-Hydroxyphenethyl)benzaldehyde

There total 14 articles about alpha-(4-Hydroxyphenethyl)benzaldehyde 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%

4-hydroxychalcone (38239-55-3,20426-12-4) → 3-(4-hydroxyphenyl)-1-phenylpropan-1-one (17791-25-2)

Guidance literature:

With diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; ephedrine; In toluene; at 60 ℃; for 48h; chemoselective reaction; Inert atmosphere;

DOI:10.14233/ajchem.2018.21480

Reference yield: 88.0%

(E)-3-(4-hydroxyphenyl)-1-phenyl-2-propen-1-one (20426-12-4,38239-55-3) → 3-(4-hydroxyphenyl)-1-phenylpropan-1-one (17791-25-2)

Guidance literature:

With 9-borabicyclo[3.3.1]nonane dimer; 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane; In ethyl acetate; at 40 ℃; for 16h;

DOI:10.1021/acs.orglett.1c00446

Reference yield: 86.0%

3-Phenyl-2-propyn-1-ol (1504-58-1) + phenol (108-95-2,27073-41-2) → 3-(4-hydroxyphenyl)-1-phenylpropan-1-one (17791-25-2)

Guidance literature:

With trifluorormethanesulfonic acid; at -5 - 20 ℃; for 6h; regioselective reaction; Inert atmosphere; Ionic liquid;

DOI:10.1039/c0ob00872a

upstream raw materials:

Phenyl vinyl ketone

phenol

4-hydroxychalcone

3-Phenyl-2-propyn-1-ol

Downstream raw materials:

4-hydroxy-6-[2-(4-hydroxy-phenyl)ethyl]-6-phenyl-5,6-dihydro-pyran-2-one

4-hydroperoxy-4-(3-oxo-3-phenylpropyl)cyclohexa-2,5-dien-1-one

4-hydroxy-4-(3-oxo-3-phenylpropyl)cyclohexa-2,5-dien-1-one

3-(2-tert-butyl-4-hydroxymethyl-5-methyl-phenylsulfanyl)-4-hydroxy-6-[2-(4-hydroxy-phenyl)-ethyl]-6-phenyl-5,6-dihydro-pyran-2-one

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