1-(4-Diethylamino-2-hydroxy-phenyl)-ethanone

Base Information

• Chemical Name: 1-(4-Diethylamino-2-hydroxy-phenyl)-ethanone
• CAS No.: 71494-78-5
• Molecular Formula: C12H17NO2
• Molecular Weight: 207.272
• DSSTox Substance ID: DTXSID20406121
• Nikkaji Number: J3.084.860H
• Wikidata: Q82211012
• Mol file: 71494-78-5.mol

Synonyms:71494-78-5;1-(4-Diethylamino-2-hydroxy-phenyl)-ethanone;1-[4-(diethylamino)-2-hydroxyphenyl]ethanone;1-[4-(diethylamino)-2-hydroxyphenyl]ethan-1-one;Ethanone, 1-[4-(diethylamino)-2-hydroxyphenyl]-;1-(4-(Diethylamino)-2-hydroxyphenyl)ethan-1-one;1-(4-diethylamino-2-hydroxy-phenyl)ethanone;SCHEMBL8072839;2-Acetyl-5-(diethylamino)phenol;DTXSID20406121;XMGSEEVKZWXCFK-UHFFFAOYSA-N;STL229092;AKOS000267618;1-(4-diethylamino-2-hydroxyphenyl)ethanone;CS-0298103;EN300-1867958

Chemical Property of 1-(4-Diethylamino-2-hydroxy-phenyl)-ethanone

Chemical Property:

• Melting Point: 42-44 °C(Solv: hexane (110-54-3))
• Boiling Point: 355.8±27.0 °C(Predicted)
• PKA: 10.28±0.10(Predicted)
• PSA: 40.54000
• Density: 1.088±0.06 g/cm3(Predicted)
• LogP: 2.44100
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 207.125928785
• Heavy Atom Count: 15
• Complexity: 214

Purity/Quality:

99% ^*data from raw suppliers

1-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)-ETHANONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)C1=CC(=C(C=C1)C(=O)C)O

Technology Process of 1-(4-Diethylamino-2-hydroxy-phenyl)-ethanone

There total 5 articles about 1-(4-Diethylamino-2-hydroxy-phenyl)-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: 90.0%

7-(diethylamino)-4-hydroxy-2H-chromen-2-one (64369-55-7) → 1-(4-(diethylamino)-2-hydroxyphenyl)ethanone (71494-78-5)

Guidance literature:

With sulfuric acid; at 125 ℃; for 5h;

DOI:10.1007/s10593-005-0186-4

Reference yield: 58.0%

1-(4-diethylamino-2-methoxyphenyl)ethanone (753006-63-2) → 1-(4-(diethylamino)-2-hydroxyphenyl)ethanone (71494-78-5)

Guidance literature:

With boron tribromide; In dichloromethane; at -78 - 20 ℃;

DOI:10.1021/jp0476390

Reference yield:

2-Methoxy-4-diethylaminobenzaldehyde (55586-68-0) → 1-(4-(diethylamino)-2-hydroxyphenyl)ethanone (71494-78-5)

Guidance literature:

Multi-step reaction with 3 steps

1: 90 percent / tetrahydrofuran / 1 h / 20 °C

2: 64 percent / DDQ / dioxane / 4 h / 20 °C

3: 58 percent / BBr₃ / CH₂Cl₂ / -78 - 20 °C

With boron tribromide; 2,3-dicyano-5,6-dichloro-p-benzoquinone; In tetrahydrofuran; 1,4-dioxane; dichloromethane;

DOI:10.1021/jp0476390

upstream raw materials:

7-(diethylamino)-4-hydroxy-2H-chromen-2-one

1-(4-diethylamino-2-methoxyphenyl)ethanone

1-(4-diethylamino-2-methoxyphenyl)ethanol

4-(Diethylamino)salicylaldehyde

Downstream raw materials:

1-(4-diethylamino-2-hydroxyphenyl)-3-phenylpropenone

1-(4-diethylamino-2-hydroxyphenyl)-3-(4-dimethylaminophenyl)propenone

7-diethylamino-3-hydroxy-2-phenylchromen-4-one

7-diethylamino-3-hydroxy-2-(4-dimethylaminophenyl)chromen-4-one