4-Chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine

Basic Information

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CAS Number

83942-13-6

Molecular Formula

C7H7ClN2

Molecular Weight

154.6 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

271.7°C at 760 mmHg

Flash Point

144.3℃

SMILES

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Clc1ncnc2CCCc21

InChI

InChI=1S/C7H7ClN2/c8-7-5-2-1-3-6(5)9-4-10-7/h4H,1-3H2

InChIKey

QFBRTAZCGKXPJK-UHFFFAOYSA-N

LogP

1.6187

Topological Polar Surface Area

25.78 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Safety Information

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Hazard Statement

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

4-Chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine
4-Chloro-5H,6H,7H-cyclopenta[d]pyrimidine
4-chloro-6,7-dihydro-5Hcyclopenta[d]pyrimidine
4-Chloro-6-7-dihydro-5H-cyclopenta-d-pyrimidine
4-Chlor-6,7-dihydro-5H-cyclopentapyrimidin
4-chloro-5,6-dihydro-7H-cyclopenta[d]pyrimidine
4-chloro-5,6-trimethylenepyrimidine
4-Chloro-6,7-dihydro-5H-cyclopentapyrimidine
4-chloro-5H,6H,7H-cyclopenta[d]pyrimidine

MDL Number

MFCD12755922

Customs Code

2933599090

FAQ

What are the physical and chemical properties of 4-Chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CAS: 83942-13-6)?

4-Chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine is a white to off-white solid with a molecular weight of approximately 192.58 g/mol. It has a low solubility in water but is more soluble in organic solvents. The compound is relatively inert but can react with strong bases. It is stable under normal conditions but should be stored in a dry place away from moisture.

How is 4-Chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CAS: 83942-13-6) typically synthesized?

4-Chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine is typically synthesized via a multistep process. Common reactions include the use of chlorination, followed by a ring closure via a condensation reaction. The process often involves palladium catalysis and requires careful control of reaction conditions to achieve high yields and selectivity.

What industries use 4-Chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CAS: 83942-13-6)?

4-Chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine is used in the pharmaceutical industry as an intermediate for synthesizing various medicinal compounds. It also finds applications in the polymer industry for the development of new materials with specific properties. Additionally, it is utilized in the production of sensors and in semiconductor technology for its electronic properties.

What precautions should be taken when handling 4-Chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CAS: 83942-13-6)?

When handling 4-Chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine, it is essential to use appropriate personal protective equipment (PPE) such as safety goggles, gloves, and lab coats. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up immediately using appropriate absorbent materials. Always consult the safety data sheet (SDS) before starting any work involving this compound.