5-Hydroxypropafenone

Base Information

• Chemical Name: 5-Hydroxypropafenone
• CAS No.: 86384-10-3
• Molecular Formula: C21H27 N O4
• Molecular Weight: 357.45
• UNII: 7AC8BF38NP
• DSSTox Substance ID: DTXSID701006775
• Nikkaji Number: J258.552I
• Wikidata: Q27266815
• ChEMBL ID: CHEMBL1264
• Mol file: 86384-10-3.mol

Synonyms:5-hydroxypropafenone

Chemical Property of 5-Hydroxypropafenone

Chemical Property:

• Vapor Pressure: 1.42E-13mmHg at 25°C
• Melting Point: 210-216oC
• Boiling Point: 564.4°Cat760mmHg
• Flash Point: 295.1°C
• PSA: 78.79000
• Density: 1.153g/cm³
• LogP: 4.13990
• Storage Temp.: -20°C Freezer
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 11
• Exact Mass: 357.19400834
• Heavy Atom Count: 26
• Complexity: 398

Purity/Quality:

98%Min ^*data from raw suppliers

5-Hydroxy Propafenone Hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCNCC(COC1=C(C=C(C=C1)O)C(=O)CCC2=CC=CC=C2)O

Technology Process of 5-Hydroxypropafenone

There total 4 articles about 5-Hydroxypropafenone 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: 56.3%

1-[5-Benzyloxy-2-(2-hydroxy-3-propylamino-propoxy)-phenyl]-3-phenyl-propan-1-one (200434-70-4) → 5-Hydroxypropafenone (86384-10-3)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol;

DOI:10.1002/ardp.19973301105

Reference yield:

5-benzyloxy-2-hydroxyacetophenone (30992-63-3) → 5-Hydroxypropafenone (86384-10-3)

Guidance literature:

Multi-step reaction with 5 steps

1: 82 percent / 50percent aq. NaOH / ethanol / 1 h

2: 85.2 percent / H₂ / 5percent Pd-C / ethyl acetate

3: NaOH / 1.5 h / Heating

4: 71 percent / Heating

5: 56.3 percent / H₂ / 5percent Pd-C / methanol

With sodium hydroxide; hydrogen; palladium on activated charcoal; In methanol; ethanol; ethyl acetate;

DOI:10.1002/ardp.19973301105

Reference yield:

5'-benzyloxy-2'-hydroxychalcone → 5-Hydroxypropafenone (86384-10-3)

Guidance literature:

Multi-step reaction with 4 steps

1: 85.2 percent / H₂ / 5percent Pd-C / ethyl acetate

2: NaOH / 1.5 h / Heating

3: 71 percent / Heating

4: 56.3 percent / H₂ / 5percent Pd-C / methanol

With sodium hydroxide; hydrogen; palladium on activated charcoal; In methanol; ethyl acetate;

DOI:10.1002/ardp.19973301105

upstream raw materials:

1-[5-Benzyloxy-2-(2-hydroxy-3-propylamino-propoxy)-phenyl]-3-phenyl-propan-1-one

5-benzyloxy-2-hydroxyacetophenone

2-hydroxy-5-benzyloxy-β-phenylpropiophenone

Downstream raw materials:

1-{5-(tert-Butyl-dimethyl-silanyloxy)-2-[2-(tert-butyl-dimethyl-silanyloxy)-3-propylamino-propoxy]-phenyl}-3-phenyl-propan-1-one

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