(4-Pyridyl)acetone

Base Information Edit

Chemical Name:(4-Pyridyl)acetone
CAS No.:6304-16-1
Molecular Formula:C8H9NO
Molecular Weight:135.166
Hs Code.:29337900
European Community (EC) Number:228-605-7
NSC Number:42613
UNII:R6ONM9F2AU
DSSTox Substance ID:DTXSID20212325
Nikkaji Number:J206.884B
Wikidata:Q27287862
Mol file:6304-16-1.mol

Synonyms:(4-Pyridyl)acetone;6304-16-1;4-Pyridyl acetone;1-(4-pyridinyl)-2-propanone;1-(pyridin-4-yl)propan-2-one;4-Pyridinylacetone;1-(4-Pyridyl)acetone;4-Acetonylpyridine;4-pyridylacetone;2-Propanone, 1-(4-pyridinyl)-;1-pyridin-4-ylpropan-2-one;UNII-R6ONM9F2AU;R6ONM9F2AU;EINECS 228-605-7;MFCD00129043;NSC-42613;1-PYRIDIN-4-YL-2-OXO-PROPANE;1-(4-Pyridyl)-2-propanone;1-(4-Pyridyl)-2-acetone;NSC42613;1-(4-Pyridinyl)acetone;1-(4-pyridinyl)propanone;1-(4-Pyridinyl)acetone #;4-(2'-oxopropyl)-pyridine;SCHEMBL48403;1-pyridin-4-yl-2-propanone;1-pyridin-4-yl-propan-2-one;4-pyridinylmethyl methyl ketone;DTXSID20212325;(4-pyridinyl)methyl methyl ketone;BCP13413;METHYL 4-PYRIDYLMETHYL KETONE;NSC 42613;2-PROPANONE, (4-PYRIDYL)-;AKOS009097741;CS-W002401;DS-1184;2-PROPANONE, 1-(4-PYRIDYL)-;AC-19864;SY002437;TS-01741;FT-0605776;P2039;EN300-67060;A834175;J-503620;Q27287862;F0001-1710;Z992409812

Suppliers and Price of (4-Pyridyl)acetone

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
(4-Pyridyl)acetone
25g
$ 255.00

TRC
(4-Pyridyl)acetone
5g
$ 85.00

TCI Chemical
(4-Pyridyl)acetone >98.0%(GC)
1g
$ 35.00

TCI Chemical
(4-Pyridyl)acetone >98.0%(GC)
5g
$ 136.00

SynQuest Laboratories
(Pyridin-4-yl)acetone 98%
25 g
$ 104.00

SynQuest Laboratories
(Pyridin-4-yl)acetone 98%
5 g
$ 31.00

SynQuest Laboratories
(Pyridin-4-yl)acetone 98%
100 g
$ 311.00

Medical Isotopes, Inc.
(4-Pyridyl)acetone
25 g
$ 290.00

Matrix Scientific
(4-Pyridyl)acetone 95+%
5g
$ 23.00

Matrix Scientific
(4-Pyridyl)acetone 95+%
1g
$ 10.00

Total 130 raw suppliers

Chemical Property of (4-Pyridyl)acetone Edit

Chemical Property:

Vapor Pressure:0.059mmHg at 25°C
Melting Point:13 °C
Refractive Index:1.5225
Boiling Point:232.5 °C at 760 mmHg
PKA:4.90±0.10(Predicted)
Flash Point:100.1 °C
PSA：29.96000
Density:1.046 g/cm³
LogP:1.21310
Storage Temp.:Inert atmosphere,Room Temperature
Solubility.:Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
Water Solubility.:Slightly soluble in water.
XLogP3:0.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:135.068413911
Heavy Atom Count:10
Complexity:116

Purity/Quality:

99% ^*data from raw suppliers

(4-Pyridyl)acetone ^*data from reagent suppliers

Safty Information:

Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.;
Hazard Codes:R36/37/38:Irritating to eyes, respiratory system and skin.;
Statements: 36/37/38
Safety Statements: 26-36/37/39-37

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)CC1=CC=NC=C1
Description 1-(4-pyridyl)acetone is a yellow liquid, which is a key intermediate for synthesizing cardiac drug Milrinone.
Physical properties 4-pyridyl acetone is a Light yellow to yellow liquid.
Uses (4-Pyridyl)acetone is a reactant in the synthesis of Milrinone (M344680), a selective phosphodiesterase inhibitor with vasodilating and positive inotropic activity. Cardiotonic.

Technology Process of (4-Pyridyl)acetone

There total 29 articles about (4-Pyridyl)acetone 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: 83.0%

: 4-(2-(ethylthio)prop-1-en-1-yl)pyridine

: 6304-16-1
pyridin-4-yl-propan-2-one

Guidance literature:: With toluene-4-sulfonic acid; In 1,2-dichloro-ethane; for 16h; Reflux;
DOI:10.1021/acs.orglett.1c01189

Reference yield: 74.3%

: 108-89-4
picoline

: 75-36-5
acetyl chloride

: 6304-16-1
pyridin-4-yl-propan-2-one

Guidance literature:: picoline; acetyl chloride; In chloroform; at 30 - 35 ℃; for 2h; Cooling with ice;

With sodium hydroxide; In chloroform; at 30 ℃; for 2h; Temperature;