1-ethylpiperidine-4-carboxylic acid

Basic Information

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CAS Number

90204-94-7

Molecular Formula

C8H15NO2

Molecular Weight

157.21 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

Boiling Point

262.7±33.0 ºC (760 Torr),

Density

1.067±0.06 g/cm3 (20 ºC 760 Torr),

Flash Point

112.7±25.4 ºC,

SMILES

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CCN1CCC(CC1)C(=O)O

InChI

InChI=1S/C8H15NO2/c1-2-9-5-3-7(4-6-9)8(10)11/h7H,2-6H2,1H3,(H,10,11)

InChIKey

IDHMTYNXPJWISA-UHFFFAOYSA-N

LogP

0.8029000000000002

Topological Polar Surface Area

40.540000000000006 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

139

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

1-ethylpiperidine-4-carboxylic acid
IDHMTYNXPJWISA-UHFFFAOYSA-N
BB 0220132
AS-39551
90204-94-7
1-(ethyl)piperidine-4-carboxylic acid
SCHEMBL855052
AB91825
DTXSID10596222
EN300-129691
SY078207
FT-0681748
1-Ethyl-piperidine-4-carboxylic acid
AKOS000111526
CS-0035977
ethyl-piperidine-4-carboxylic acid
MFCD09055179
1-Ethylpiperidine-4-carboxylic acid
1-ethyl-4-Piperidinecarboxylic acid
1-ethylpiperidine-4-carboxylic acid(HCl)
1-Ethylpiperidine-4-carboxylic acidhydrochloride
1-Ethyl-isonipecotinsaeure
1-ethylpiperidine-4-carboxylic acid(SALTDATA: HCl)

MDL Number

MFCD09055179

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 1-ethylpiperidine-4-carboxylic acid (CAS: 90204-94-7)?

1-Ethylpiperidine-4-carboxylic acid (CAS: 90204-94-7) is a crystalline solid with a molecular weight of approximately 191.26 g/mol. It has a pKa of around 4.3 and is slightly soluble in water. The compound shows moderate reactivity with nucleophiles and bases. It is prone to hydrolysis under acidic conditions and can undergo amide coupling reactions.

How is 1-ethylpiperidine-4-carboxylic acid (CAS: 90204-94-7) typically synthesized?

1-Ethylpiperidine-4-carboxylic acid (CAS: 90204-94-7) can be synthesized by the amidation of 4-hydroxypiperidine with ethyl chloroformate in the presence of a phase-transfer catalyst. The reaction is carried out in an organic solvent like toluene at elevated temperature, typically around 60-80°C, with good yield (over 90%).

What industries use 1-ethylpiperidine-4-carboxylic acid (CAS: 90204-94-7)?

1-Ethylpiperidine-4-carboxylic acid (CAS: 90204-94-7) is primarily used in the pharmaceutical and polymer industries for the synthesis of various drugs and polymer precursors. It is also used in the production of organic sensors and as a reagent in organic chemistry research.

What precautions should be taken when handling 1-ethylpiperidine-4-carboxylic acid (CAS: 90204-94-7)?

When handling 1-ethylpiperidine-4-carboxylic acid (CAS: 90204-94-7), it is essential to wear appropriate personal protective equipment (PPE) including gloves and safety goggles. Work in a well-ventilated area or a fume hood. Store the compound in a cool, dry place away from oxidizing agents. In case of a spill, immediately clean up using appropriate absorbent materials and follow the safety data sheet (SDS) for further instructions.