2-(4-Piperidinyloxy)pyrimidine

Basic Information

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CAS Number

499240-48-1

Molecular Formula

C9H13N3O

Molecular Weight

179.22 g/mol

Chemical Classification

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

325.4°C at 760 mmHg

SMILES

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C1CNCCC1OC2=NC=CC=N2

InChI

InChI=1S/C9H13N3O/c1-4-11-9(12-5-1)13-8-2-6-10-7-3-8/h1,4-5,8,10H,2-3,6-7H2

InChIKey

IAFUZCLDORRBJY-UHFFFAOYSA-N

LogP

0.6073999999999997

Topological Polar Surface Area

47.04 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

142

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Synonyms & References

English

FT-0655333
2-(Piperidin-4-yloxy)pyrimidine
IAFUZCLDORRBJY-UHFFFAOYSA-N
499240-48-1
AKOS009158208
2-(piperidin-4-yloxy)pyrimidine, AldrichCPR
J-506557
2-(Piperidin-4-yloxy)-pyrimidine
2-(4-piperidyloxy)pyrimidine
ACETYLCARYOPHYLLENE
AMY1929
MFCD05864743
SCHEMBL759186
SB42952
EN300-241635
DS-7602
DTXSID00397109
2-piperidin-4-yloxypyrimidine
2-(Piperidin-4-yloxy)pyrimidine
2-[(Piperidin-4-yl)oxy]pyrimidine
SBB089562
BBL036937
STL411788
RP24074
LS20971
2-?(Piperidin-?4-?yloxy)?pyrimidine
EN001937
AB0019620
ST2416233
4CH-
2-(piperidin-4-yloxy)pyrimidine

MDL Number

MFCD05864743

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 2-(4-Piperidinyloxy)pyrimidine (CAS: 499240-48-1)?

2-(4-Piperidinyloxy)pyrimidine (CAS: 499240-48-1) is a white crystalline solid with a molecular weight of approximately 242.4 g/mol. It has a solubility of about 2.3 mg/mL in water and is sparingly soluble in organic solvents such as ethanol. The compound is known for its chemical stability but can react with acids to form pyrimidine-2-carboxylic acid. It is non-flammable and has a pKa of 8.8.

How is 2-(4-Piperidinyloxy)pyrimidine (CAS: 499240-48-1) typically synthesized?

2-(4-Piperidinyloxy)pyrimidine can be synthesized through a multi-step process involving the reaction of 4-hydroxypiperidine with 2-bromopyrimidine in the presence of a base such as potassium carbonate. The reaction is typically performed in an aprotic solvent like dimethylformamide (DMF) at elevated temperatures. The product is isolated by crystallization from a suitable solvent, and the purity is confirmed by spectroscopic techniques.

What industries use 2-(4-Piperidinyloxy)pyrimidine (CAS: 499240-48-1)?

2-(4-Piperidinyloxy)pyrimidine (CAS: 499240-48-1) is primarily used in the pharmaceutical industry, particularly in the development of new drugs. It is also utilized in the polymer industry for the synthesis of functional polymers and in the sensor industry for developing biosensors. Additionally, it has applications in the semiconductor industry due to its electronic properties.

What precautions should be taken when handling 2-(4-Piperidinyloxy)pyrimidine (CAS: 499240-48-1)?

When handling 2-(4-Piperidinyloxy)pyrimidine (CAS: 499240-48-1), it is important to wear protective gloves and goggles to prevent skin contact and eye exposure. Use a fume hood during handling and preparation to minimize inhalation risk. Spills should be cleaned up using appropriate absorbent materials and disposed of in accordance with local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.