Methyl 2-(1-methylpiperidin-4-yl)acetate

Basic Information

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CAS Number

95533-25-8

Molecular Formula

C9H17NO2

Molecular Weight

171.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Boiling Point

210.2℃ at 760 mmHg

Density

0.978

Flash Point

81.5°C

Refractive Index

1.45

SMILES

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CN1CCC(CC1)CC(=O)OC

InChI

InChI=1S/C9H17NO2/c1-10-5-3-8(4-6-10)7-9(11)12-2/h8H,3-7H2,1-2H3

InChIKey

BMFMUHLTSDBYKC-UHFFFAOYSA-N

LogP

0.8913

Topological Polar Surface Area

29.54 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

151

Safety Information

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Hazard Statement

H227 Combustible liquid
Flammable liquids

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

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

Synonyms & References

English

4-Piperidineaceticacid, 1-methyl-, methyl ester
Methyl 1-methyl-4-piperidineacetate
METHYL 2-(1-METHYL-4-PIPERIDYL)ACETATE
Methyl 2-(1-methylpiperidin-4-yl)acetate
1-Methyl pyridine-4-yl acetic acid methyl ester
AC-5031
methyl 1-methyl-4-piperidinoacetate
4-Piperidineacetic acid,1-methyl-,methyl ester
N-Methyl-4-(carbomethoxymethylidenyl)piperidine
1-METHYL-4-PIPERIDINEACETIC ACID METHYL ESTER
Methyl (1-methylpiperidin-4-yl)acetate
PubChem13711
4-PIPERIDINEACETIC ACID, 1-METHYL-, METHYL ESTER
BMFMUHLTSDBYKC-UHFFFAOYSA-N
PB25474
AM101747
AK159698
SY0116
Methyl 1-methyl-4-piperidineacetate (ACI)
Methyl (1-methyl-4-piperidyl)acetate
methyl 2-(1-methyl-4-piperidyl)acetate
95533-25-8
methyl2-(1-methylpiperidin-4-yl)acetate
CS-W001881
4-piperidineacetic acid,1-methyl-,methyl ester
METHYL 1-METHYL-4-PIPERIDINEACETATE
(1-METHYL-PIPERIDIN-4-YL)-ACETIC ACID METHYL ESTER
VDA53325
SY011680
DS-9683
AKOS005145748

MDL Number

MFCD12756507

FAQ

What are the physical and chemical properties of Methyl 2-(1-methylpiperidin-4-yl)acetate (CAS: 95533-25-8)?

Methyl 2-(1-methylpiperidin-4-yl)acetate is a colorless to pale yellow liquid with a molecular weight of approximately 204.3 g/mol. It has a p*Ka of about 12.2, indicating a basic nature. The compound is slightly soluble in water but miscible with many organic solvents. It exhibits moderate reactivity in the presence of strong acids and bases, and is stable under normal conditions but may degrade at high temperatures. It is commonly used in organic synthesis due to its reactivity and stability.

How is Methyl 2-(1-methylpiperidin-4-yl)acetate (CAS: 95533-25-8) typically synthesized?

Methyl 2-(1-methylpiperidin-4-yl)acetate is typically synthesized via an esterification reaction between 2-(1-methylpiperidin-4-yl)acetic acid and methanol. The reaction is catalyzed by a solid acid such as Amberlicat IR 120, and proceeds under mild conditions. The yield is usually around 80-90%, with good selectivity and purity.

What industries use Methyl 2-(1-methylpiperidin-4-yl)acetate (CAS: 95533-25-8)?

Methyl 2-(1-methylpiperidin-4-yl)acetate is primarily used in the pharmaceutical industry as a precursor for organic synthesis. It is also utilized in the polymer industry as a modifier. Additionally, it finds applications in the production of sensors and semiconductors due to its reactivity and chemical properties.

What precautions should be taken when handling Methyl 2-(1-methylpiperidin-4-yl)acetate (CAS: 95533-25-8)?

When handling Methyl 2-(1-methylpiperidin-4-yl)acetate, it is important to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be carried out in a well-ventilated area or fume hood. Spills should be cleaned up immediately using appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for specific handling and storage instructions. This compound is stable under normal conditions but should be stored in a cool, dry place away from strong acids and bases.