Phenyl(1-piperidinyl)methanone

Basic Information

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CAS Number

776-75-0

Molecular Formula

C12H15NO

Molecular Weight

189.26 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

Basic Physical Properties

Melting Point

48.0 to 52.0 deg-C

Boiling Point

321°C

Density

1.0356 (rough estimate)

Flash Point

180-184°C/20mm

Refractive Index

1.5400 (estimate)

SMILES

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C1CCN(CC1)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C12H15NO/c14-12(11-7-3-1-4-8-11)13-9-5-2-6-10-13/h1,3-4,7-8H,2,5-6,9-10H2

InChIKey

YXTROGRGRSPWKL-UHFFFAOYSA-N

LogP

2.3127000000000004

Topological Polar Surface Area

20.310000000000002 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

191

Synonyms & References

English

NSC26344
N-Benzoylpiperidin
alpha-Repellin
Cambridge id 5172602
SB41089
CS-0014481
R-162
A839160
776-75-0
FT-0659564
phenyl-piperidin-1-ylmethanone
Protectine I;alpha-Repellin
NSC1992
UNII-B678L9IQ0Y
BRN 0136611
BS-44008
NS00037941
NSC 1992
Benzoic acid N-piperidide
MLS002637604
LG 20104
P 162
Benzoic acid piperidide
DTXSID80228265
5-20-02-00450 (Beilstein Handbook Reference)
Protectine I;-Repellin
Phenyl-piperidin-1-yl-methanone
NCGC00246771-01
Protectine I
N-Benzoylpiperidine
R 162

MDL Number

MFCD00023702

FAQ

What are the physical and chemical properties of Phenyl(1-piperidinyl)methanone (CAS: 776-75-0)?

Phenyl(1-piperidinyl)methanone (CAS: 776-75-0) is a white crystalline solid with a molecular weight of approximately 229.3 g/mol. It has a melting point of 100-102°C and is slightly soluble in water but more soluble in organic solvents such as ethanol and acetone. It is highly reactive towards nucleophiles and can undergo various transformations under appropriate conditions, making it a versatile compound in organic synthesis.

How is Phenyl(1-piperidinyl)methanone (CAS: 776-75-0) typically synthesized?

Phenyl(1-piperidinyl)methanone can be synthesized via the reaction of piperidine with phenyl ketones in the presence of an acid catalyst such as hydrochloric acid. The method involves the condensation of piperidine with the phenyl ketone, followed by the dehydration of the resulting secondary alcohol under acidic conditions. The yield and selectivity can be improved by optimizing reaction conditions such as temperature, concentration, and presence of catalysts.

What industries use Phenyl(1-piperidinyl)methanone (CAS: 776-75-0)?

Phenyl(1-piperidinyl)methanone (CAS: 776-75-0) is primarily used in the pharmaceutical industry as an intermediate for the synthesis of various drug molecules. It also finds applications in the polymer industry as a monomer for the production of certain polymers. Additionally, it can be utilized in the development of sensors and as a reagent in organic chemistry.

What precautions should be taken when handling Phenyl(1-piperidinyl)methanone (CAS: 776-75-0)?

When handling Phenyl(1-piperidinyl)methanone (CAS: 776-75-0), it is crucial to wear appropriate personal protective equipment (PPE), including safety goggles, gloves, and a lab coat. Work should be conducted in a well-ventilated area or fume hood to minimize inhalation risks. Spills should be cleaned up immediately using absorbent materials and appropriate chemicals. Always consult the safety data sheet (SDS) for detailed handling and disposal information.