1-(2,4-Dihydroxy-5-propylphenyl)ethanone

Base Information

• Chemical Name: 1-(2,4-Dihydroxy-5-propylphenyl)ethanone
• CAS No.: 63411-87-0
• Molecular Formula: C11H14 O3
• Molecular Weight: 194.23
• Hs Code.: 2914501900
• DSSTox Substance ID: DTXSID70379417
• Wikidata: Q82169207
• ChEMBL ID: CHEMBL3274362
• Mol file: 63411-87-0.mol

Synonyms:63411-87-0;1-(2,4-dihydroxy-5-propylphenyl)ethanone;1-(2,4-Dihydroxy-5-propylphenyl)ethan-1-one;CHEMBL3274362;DTXSID70379417;MFCD00100627;AKOS022644656;TS-02758;CS-0317438;Ethanone,1-(2,4-dihydroxy-5-propylphenyl)-;methyl6-hydroxy-4-oxo-1H-pyridine-3-carboxylate;A868153

Chemical Property of 1-(2,4-Dihydroxy-5-propylphenyl)ethanone

Chemical Property:

• Vapor Pressure: 1.18E-05mmHg at 25°C
• Melting Point: 99oC
• Boiling Point: 359.1oC at 760 mmHg
• PKA: 8.49±0.23(Predicted)
• Flash Point: 185.1oC
• PSA: 57.53000
• Density: 1.162g/cm3
• LogP: 2.25290
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 194.094294304
• Heavy Atom Count: 14
• Complexity: 203

Purity/Quality:

99%, ^*data from raw suppliers

1-(2,4-Dihydroxy-5-propylphenyl)ethan-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1=CC(=C(C=C1O)O)C(=O)C

Technology Process of 1-(2,4-Dihydroxy-5-propylphenyl)ethanone

There total 9 articles about 1-(2,4-Dihydroxy-5-propylphenyl)ethanone 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: 71.0%

4-propylresorcinol (18979-60-7) + acetyl chloride (75-36-5) → 1-(2,4-dihydroxy-5-propylphenyl)ethanone (63411-87-0)

Guidance literature:

With aluminium trichloride; In nitrobenzene;

Reference yield: 70.0%

4-propylresorcinol (18979-60-7) + acetic acid (64-19-7,77671-22-8) → 1-(2,4-dihydroxy-5-propylphenyl)ethanone (63411-87-0)

Guidance literature:

With zinc(II) chloride; at 95 - 100 ℃; for 6h;

DOI:10.1016/j.bmc.2014.01.032

Reference yield:

2',4'-dihydroxypropiophenone (5792-36-9) → 1-(2,4-dihydroxy-5-propylphenyl)ethanone (63411-87-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 48 percent / zinc amalgame, hydrochloric acid / ethanol

2: 71 percent / aluminum chloride / nitrobenzene

With hydrogenchloride; amalgamated zinc; aluminium trichloride; In ethanol; nitrobenzene;

upstream raw materials:

4-propylresorcinol

acetic acid

acetonitrile

acetyl chloride

Downstream raw materials:

2,4-diethoxy-5-n-propylacetophenone

4-methoxy-2-hydroxy-5-propylacetophenone

2-ethoxy-4-methoxy-5-propylacetophenone oxime

2-ethoxy-4-methoxy-5-propylacetophenone

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