1-Acetyl-4-piperidinecarboxylic acid

Basic Information

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CAS Number

25503-90-6

Molecular Formula

C8H13NO3

Molecular Weight

171.2 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

Basic Physical Properties

Physical State

Powder

Melting Point

182.0 to 186.0 deg-C

Boiling Point

301.17°C (rough estimate)

Water Solubility

50 g/L (20 ºC)

Flash Point

180ºC

Refractive Index

1.4750 (estimate)

SMILES

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CC(=O)N1CCC(CC1)C(=O)O

InChI

InChI=1S/C8H13NO3/c1-6(10)9-4-2-7(3-5-9)8(11)12/h7H,2-5H2,1H3,(H,11,12)

InChIKey

WFCLWJHOKCQYOQ-UHFFFAOYSA-N

LogP

0.32949999999999985

Topological Polar Surface Area

57.61 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

195

Safety Information

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GHS Hazard Pictograms

H302

H315

H317

H319

H335

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H317 May cause an allergic skin reaction
Sensitization, Skin

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

n-acetyl-4-piperidinecarboxylic acid
SY007534
1-Acetylpiperidine-4-carboxylic acid
AQ-358/42531503
4-acetylpiperidine-1-carboxylic acid
N-acetyl isonipecotic acid
l-acetyl-piperidine-4-carboxylic acid
1_acetylpiperidine_4_carboxylic_acid
n-acetylisonipecotinic acid
Q-103010
SB17852
MFCD00023706
AMY32509
NS00027904
4-Piperidinecarboxylic acid, 1-acetyl-
AC-15315
SCHEMBL191353
acetylpiperidine-4-carboxylic acid
25503-90-6
1-acetyl-4-piperidine carboxylic acid
EINECS 247-049-6
AKOS000264472
CCG-48266
EN300-18557
N-acetylpiperidine-4-carboxylic acid
G4N4ECA9RB
Z85885967
1-Acetyl-4-piperidinecarboxylic acid
Maybridge1_003128
1-Acetylpiperidine-4-carboxylic acid, 97%
1-acetyl-piperidine-4-carboxylic acid

MDL Number

MFCD00023706

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 1-Acetyl-4-piperidinecarboxylic acid (CAS: 25503-90-6)?

1-Acetyl-4-piperidinecarboxylic acid is a white crystalline solid with a molecular weight of approximately 185.23 g/mol. It is slightly soluble in water and ethanol. This compound is known for its amphoteric properties and moderate reactivity, particularly in esterification and amide formation reactions.

How is 1-Acetyl-4-piperidinecarboxylic acid (CAS: 25503-90-6) typically synthesized?

1-Acetyl-4-piperidinecarboxylic acid can be synthesized by the reaction of 4-piperidinecarboxylic acid with acetyl chloride in the presence of a catalytic amount of pyridine. The reaction typically yields a high purity product with good selectivity and a yield of around 85%. The process involves careful monitoring of pH and temperature to ensure optimal conditions.

What industries use 1-Acetyl-4-piperidinecarboxylic acid (CAS: 25503-90-6)?

1-Acetyl-4-piperidinecarboxylic acid is used in various industries due to its structural features. It is primarily utilized in the pharmaceutical industry for the synthesis of drug intermediates, in polymer science for developing new materials, and in the chemical sensors and semiconductors sectors for specific applications requiring amphoteric properties.

What precautions should be taken when handling 1-Acetyl-4-piperidinecarboxylic acid (CAS: 25503-90-6)?

When handling 1-Acetyl-4-piperidinecarboxylic acid, it is important to wear appropriate personal protective equipment (PPE) such as goggles, gloves, and a lab coat. Store the compound in a cool, dry place away from heat sources. Always use a fume hood during handling and disposal. In case of a spill, immediately contain it with absorbent material and dispose of according to local regulations. Refer to the safety data sheet (SDS) for detailed information on handling and emergency procedures.