3-(Diethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one

Base Information

• Chemical Name: 3-(Diethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
• CAS No.: 1776-33-6
• Molecular Formula: C₁₃H₁₇NO₂
• Molecular Weight: 219.283
• DSSTox Substance ID: DTXSID60350851
• Mol file: 1776-33-6.mol

Synonyms:3-(diethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one;TimTec1_003941;DTXSID60350851

Chemical Property of 3-(Diethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one

Chemical Property:

• Vapor Pressure: 4.45E-05mmHg at 25°C
• Melting Point: 77-81 °C(lit.)
• Refractive Index: 1.555
• Boiling Point: 340.1°C at 760 mmHg
• Flash Point: 159.5°C
• PSA: 40.54000
• Density: 1.081g/cm³
• LogP: 2.43040
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 219.125928785
• Heavy Atom Count: 16
• Complexity: 246

Purity/Quality:

99% ^*data from raw suppliers

(E)-3-(Diethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)C=CC(=O)C1=CC=CC=C1O

Technology Process of 3-(Diethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one

There total 2 articles about 3-(Diethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one 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:

1-benzopyran-4(4H)-one (491-38-3) + diethylamine (109-89-7) → 3-Diaethylamino-1-<2-hydroxy-phenyl>-propenon (1776-33-6)

Guidance literature:

In water;

DOI:10.1039/jr9650003610

Reference yield:

→ 3-Diaethylamino-1-<2-hydroxy-phenyl>-propenon (1776-33-6)

Guidance literature:

Chromon, Diaethylamin;

Reference yield: 82.0%

3-Diaethylamino-1-<2-hydroxy-phenyl>-propenon (1776-33-6) → 5-(2-hydroxyphenyl)isoxazole (61348-47-8)

Guidance literature:

With hydroxylamine hydrochloride; acetic acid; Heating;

upstream raw materials:

1-benzopyran-4(4H)-one

diethylamine

Downstream raw materials:

5-(2-hydroxyphenyl)isoxazole

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