(4-Pyridyl)acetone - CAS 6304-16-1
Catalog: |
BB031962 |
Product Name: |
(4-Pyridyl)acetone |
CAS: |
6304-16-1 |
Synonyms: |
1-pyridin-4-yl-2-propanone; 1-pyridin-4-ylpropan-2-one |
IUPAC Name: | 1-pyridin-4-ylpropan-2-one |
Description: | (4-Pyridyl)acetone (CAS# 6304-16-1) is a reactant in the synthesis of Milrinone (M344680), a selective phosphodiesterase inhibitor with vasodilating and positive inotropic activity. Cardiotonic. |
Molecular Weight: | 135.16 |
Molecular Formula: | C8H9NO |
Canonical SMILES: | CC(=O)CC1=CC=NC=C1 |
InChI: | InChI=1S/C8H9NO/c1-7(10)6-8-2-4-9-5-3-8/h2-5H,6H2,1H3 |
InChI Key: | ILRVKOYYFFNXDB-UHFFFAOYSA-N |
Boiling Point: | 232.5 ℃ at 760 mmHg |
Density: | 1.046 g/cm3 |
MDL: | MFCD00129043 |
LogP: | 1.21310 |
GHS Hazard Statement: | H302 (83.33%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113493405-A | Preparation method of 4- (dimethylamino) -3- (pyridine-4-yl) but-3-en-2-one | 20200320 |
CN-113493406-A | Preparation method of milrinone intermediate | 20200320 |
CN-113493410-A | Preparation process of milrinone | 20200320 |
CN-113493411-A | Method for synthesizing milrinone | 20200320 |
CN-113493412-A | New process for preparing milrinone | 20200320 |
Complexity: | 116 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 135.068413911 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 135.068413911 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 30 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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