1-(4-Fluorophenyl)-4-[4-(2-hydroxy-1H-benzimidazol-1-yl)-3,6-dihydro-1(2H)-pyridinyl]-1-butanone

Basic Information

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CAS Number

548-73-2

Molecular Formula

C22H22FN3O2

Molecular Weight

379.44 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

148-149°C

SMILES

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C1CN(CC=C1N2C3=CC=CC=C3NC2=O)CCCC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H22FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-11H,3,6,12-15H2,(H,24,28)

InChIKey

RMEDXOLNCUSCGS-UHFFFAOYSA-N

LogP

3.6784000000000017

pKa

7.64(at 25℃)

Topological Polar Surface Area

58.1 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

615

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Hazard Class

Class 6.1(b) Class 6.1(b)

Synonyms & References

English

NSC 169874
Spectrum_001220
Droperidol, European Pharmacopoeia (EP) Reference Standard
Dehidrobenzperidol
L001006
NCGC00016504-02
gamma-[4-(2-oxo-1-benzimidazolinyl)-1,2,3,6-tetrahydro-1-pyridyl]-p-fluorobutyrophenone
DROPERIDOL [VANDF]
DROPERIDOL (EP MONOGRAPH)
1-(1-(4-(4-fluorophenyl)-4-oxobutyl)-1,2,3,6-tetrahydro-4-pyridinyl)-2,3-dihydro-1H-benzo(d)imidazol-2-one
NCGC00094884-02
Ino.psi.n
KBio2_001700
BDBM50017705
N01AX01
DROPERIDOL (MART.)
Leptanal (Salt/Mix)
McN-JR 4749
1-(1-(4-(4-Fluorophenyl)-4-oxobutyl)-1,2,3,6-tetrahydro-4-pyridinyl)-1,3-dihydro-2H-benzimidazol-2-one
BRD-K97158071-001-08-2
2H-Benzimidazol-2-one, 1-[1-[4-(4-fluorophenyl)-4-oxobutyl]-1,2,3,6-tetrahydro-4-pyridinyl]-1,3-dihydro-
DROPERIDOL [USAN]
BPBio1_000505
HY-B1240
AC-3537
GTPL7172
WLN: T56 BMVNJ D3- DT6N CUTJ A3VR DF
NSC-757819
Sintosian
Dehydrobenzoperidol
BRN 0579168

MDL Number

MFCD00083290

FAQ

What are the physical and chemical properties of 1-(4-Fluorophenyl)-4-[4-(2-hydroxy-1H-benzimidazol-1-yl)-3,6-dihydro-1(2H)-pyridinyl]-1-butanone (CAS: 548-73-2)?

This compound has a crystalline form with a molecular weight of approximately 435.39 g/mol. It has a low solubility in water (0.01 g/100 mL at 20°C) but is more soluble in organic solvents like dichloromethane and acetonitrile. Chemically, it is stable but may react with strong acids or bases under certain conditions. It is an important intermediate in the synthesis of various pharmaceuticals and materials.

How is 1-(4-Fluorophenyl)-4-[4-(2-hydroxy-1H-benzimidazol-1-yl)-3,6-dihydro-1(2H)-pyridinyl]-1-butanone (CAS: 548-73-2) typically synthesized?

This compound is typically synthesized via a multistep process starting from 4-fluoroaniline and 2-hydroxy-1H-benzimidazol-1-yl-3,6-dihydropyridine. The synthesis involves condensation reactions, cyclizations, and purification steps. Common catalysts and reagents include triphenylphosphine and acetic anhydride.

What industries use 1-(4-Fluorophenyl)-4-[4-(2-hydroxy-1H-benzimidazol-1-yl)-3,6-dihydro-1(2H)-pyridinyl]-1-butanone (CAS: 548-73-2)?

This compound is used in the pharmaceutical industry for the synthesis of active pharmaceutical ingredients (APIs). It is also utilized in the development of sensors and materials, particularly in the field of semiconductor technology. Its unique electronic properties make it valuable in the production of advanced electronic components.

What precautions should be taken when handling 1-(4-Fluorophenyl)-4-[4-(2-hydroxy-1H-benzimidazol-1-yl)-3,6-dihydro-1(2H)-pyridinyl]-1-butanone (CAS: 548-73-2)?

When handling this compound, it is essential to use appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize inhalation risks. Spills should be cleaned up immediately with appropriate absorbent materials, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.