Methyl 1-(2-chloropyrimidin-4-yl)piperidine-4-carboxylate

Basic Information

View in Editor

CAS Number

889126-33-4

Molecular Formula

C11H14ClN3O2

Molecular Weight

255.7 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

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

412.2°C at 760 mmHg

Density

1.293

Flash Point

203.1°C

Refractive Index

1.551

SMILES

View in Editor

COC(=O)C1CCN(CC1)C2=NC(=NC=C2)Cl

InChI

InChI=1S/C11H14ClN3O2/c1-17-10(16)8-3-6-15(7-4-8)9-2-5-13-11(12)14-9/h2,5,8H,3-4,6-7H2,1H3

InChIKey

RANXPSAMFSXQAL-UHFFFAOYSA-N

LogP

1.5194

Topological Polar Surface Area

55.32000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

269

Synonyms & References

English

tetrahydro-2,2-dimethyl-2H-pyran-4-carboxylic acid
1-(2-Chloropyrimidin-4-yl)piperidine-4-carboxylic acid methyl ester
4-Piperidinecarboxylic acid, 1-(2-chloro-4-pyrimidinyl)-, methyl ester
F1908-2589
SB43499
methyl 1-(2-chloropyrimidin-4-yl)piperidine-4-carboxylate
A842999
1-(2-chloro-4-pyrimidinyl)-4-piperidinecarboxylic acid methyl ester
AKOS015851217
DTXSID30624516
SCHEMBL4018974
methyl 1-(2-chloropyrimidin-4-yl)piperidine-4-carboxylate, AldrichCPR
FT-0693500
methyl 1-(2-chloranylpyrimidin-4-yl)piperidine-4-carboxylate
RANXPSAMFSXQAL-UHFFFAOYSA-N
J-521722
AM20080895
889126-33-4
Methyl 1-(2-chloropyrimidin-4-yl)piperidine-4-carboxylate
4-Piperidinecarboxylicacid, 1-(2-chloro-4-pyrimidinyl)-, methyl ester

MDL Number

MFCD09743695

FAQ

What are the physical and chemical properties of Methyl 1-(2-chloropyrimidin-4-yl)piperidine-4-carboxylate (CAS: 889126-33-4)?

Methyl 1-(2-chloropyrimidin-4-yl)piperidine-4-carboxylate (CAS: 889126-33-4) is a crystalline compound with a molecular weight of approximately 267.95 g/mol. It is sparingly soluble in water and more soluble in organic solvents like methanol and dichloromethane. The compound is known for its moderate reactivity, particularly in nucleophilic substitution reactions at the pyrimidine ring and piperidine side chain.

How is Methyl 1-(2-chloropyrimidin-4-yl)piperidine-4-carboxylate (CAS: 889126-33-4) typically synthesized?

Methyl 1-(2-chloropyrimidin-4-yl)piperidine-4-carboxylate (CAS: 889126-33-4) can be synthesized via a multi-step process involving the coupling of 4-chloropyrimidine with methyl piperidine-4-carboxylate. Commonly, this involves the use of a coupling reagent like 1-ethyl-3-(3-dimethylaminopropyl)carbodiimide (EDC) and N-hydroxysuccinimide (NHS) to facilitate the amide bond formation. The reaction typically requires optimization for yield and selectivity.

What industries use Methyl 1-(2-chloropyrimidin-4-yl)piperidine-4-carboxylate (CAS: 889126-33-4)?

Methyl 1-(2-chloropyrimidin-4-yl)piperidine-4-carboxylate (CAS: 889126-33-4) is primarily used in the pharmaceutical industry for the synthesis of various drugs. It also finds applications in the development of sensors and as an intermediate in the production of certain polymers. Its use in semiconductors is less common but is explored for specific applications requiring precise chemical functionalities.

What precautions should be taken when handling Methyl 1-(2-chloropyrimidin-4-yl)piperidine-4-carboxylate (CAS: 889126-33-4)?

When handling Methyl 1-(2-chloropyrimidin-4-yl)piperidine-4-carboxylate (CAS: 889126-33-4), it is essential to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood to avoid inhalation of vapors. Spills should be cleaned up using absorbent materials, and the area should be thoroughly flushed with water. Always consult the Material Safety Data Sheet (MSDS) for detailed safety information and emergency procedures.