3-Buten-2-one,4-ethoxy-3-(4-pyridinyl)-

Base Information

• Chemical Name: 3-Buten-2-one,4-ethoxy-3-(4-pyridinyl)-
• CAS No.: 88349-61-5
• Molecular Formula: C11H13 N O2
• Molecular Weight: 191.23
• Hs Code.: 2933399090
• European Community (EC) Number: 289-405-3
• Mol file: 88349-61-5.mol

Synonyms:3-Buten-2-one,4-ethoxy-3-(4-pyridinyl)-;88349-61-5;4-Ethoxy-3-(4-pyridyl)-3-buten-2-one;SCHEMBL10910441

Chemical Property of 3-Buten-2-one,4-ethoxy-3-(4-pyridinyl)-

Chemical Property:

• Vapor Pressure: 2.54E-05mmHg at 25°C
• Boiling Point: 358.4°C at 760 mmHg
• Flash Point: 170.6°C
• PSA: 39.19000
• Density: 1.062g/cm³
• LogP: 2.04800
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 191.094628657
• Heavy Atom Count: 14
• Complexity: 217

Purity/Quality:

95+%HPLC ^*data from raw suppliers

4-Ethoxy-3-(4-pyridinyl)-3-buten-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC=C(C1=CC=NC=C1)C(=O)C
• Isomeric SMILES: CCO/C=C(/C1=CC=NC=C1)\C(=O)C
• Uses: 4-Ethoxy-3-(4-pyridinyl)-3-buten-2-one (Milrinone Impurity 11) is an impurity of Milrinone (M344680), a selective phosphodiesterase inhibitor with vasodilating and positive inotropic activity. Cardiotonic.

Technology Process of 3-Buten-2-one,4-ethoxy-3-(4-pyridinyl)-

There total 1 articles about 3-Buten-2-one,4-ethoxy-3-(4-pyridinyl)- 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:

pyridin-4-yl-propan-2-one (6304-16-1) + orthoformic acid triethyl ester (122-51-0) → (Z)-4-ethoxy-3-(pyridin-4-yl)but-3-en-2-one (88349-61-5)

Guidance literature:

In acetic anhydride; acetic acid; Ambient temperature;

Reference yield:

(Z)-4-ethoxy-3-(pyridin-4-yl)but-3-en-2-one (88349-61-5) + malononitrile (109-77-3) → 1,6-dihydro-2-methyl-6-oxo-(3,4'-bipyridine)-5-carbonitrile (78415-72-2)

Guidance literature:

In ethanol; for 5h; Heating;

Reference yield:

Cyanothioacetamide (7357-70-2) + (Z)-4-ethoxy-3-(pyridin-4-yl)but-3-en-2-one (88349-61-5) → 3-Cyan-6-methyl-5-(pyrid-4-yl)-1,2-dihydro-pyrid-2-thion (116228-69-4)

Guidance literature:

With sodium methylate; In methanol; for 1.5h; Yield given; Heating;

upstream raw materials:

pyridin-4-yl-propan-2-one

orthoformic acid triethyl ester

Downstream raw materials:

3-Cyan-6-methyl-5-(pyrid-4-yl)-1,2-dihydro-pyrid-2-thion

1,6-dihydro-2-methyl-6-oxo-(3,4'-bipyridine)-5-carbonitrile

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