3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione

C13H18N2O2

CAS2164-08-1
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
2164-08-1
EC Number
218-499-0
UN Number
3077
Index Number
613-320-00-6
PubChem CID
16559

Physical-chemical properties

Molecular Formula
C13H18N2O2
Molar Mass
234.29 g/mol
IUPAC Name
3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione

Chemical Identifiers

InChI
InChI=1S/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)
InChI Key
ZTMKADLOSYKWCA-UHFFFAOYSA-N

Overview

3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione (CAS 2164-08-1) is a heterocyclic organic compound with pyrimidine dione functionality and cyclohexyl substitution. This specialized chemical compound belongs to the pyrimidine family, featuring a fused cyclopentane ring system with characteristic dione functionality at positions 2 and 4. With its molecular formula C13H18N2O2 and molecular weight of 234.29 g/mol, this substance exhibits unique structural properties that make it valuable for various industrial applications. The compound's structure incorporates both a cyclohexyl group and a tetrahydrocyclopenta ring system, contributing to its distinct chemical behavior and reactivity profile. From a safety perspective, this compound requires careful handling due to its classification as a Category 2 carcinogen under GHS regulations, indicated by the GHS08 health hazard pictogram and "Warning" signal word. Additionally, it presents significant environmental concerns with Aquatic Acute 1 and Aquatic Chronic 1 classifications, requiring the GHS09 environmental hazard pictogram. Transport regulations classify it under ADR Class 9, reflecting its status as a miscellaneous dangerous substance. Industrial applications typically include use as an intermediate in pharmaceutical synthesis, agrochemical development, and specialty chemical manufacturing. The compound's pyrimidine core structure makes it particularly relevant in medicinal chemistry applications, where it serves alongside related compounds such as 4-methyl-N-phenyl-6-prop-1-ynylpyrimidin-2-amine in various synthetic pathways. Its unique ring system also finds utility in materials science research and advanced organic synthesis protocols. OYSI maintains reliable supply chains for this technical-grade compound, ensuring consistent availability for qualified industrial customers across Europe with appropriate handling capabilities and regulatory compliance.

Safety & Classification

Warning
Classification:

Carc. 2; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H351

Suspected of causing cancer.

H400

Very toxic to aquatic life.

H410

Very toxic to aquatic life with long lasting effects.

Classification according to CLP Regulation (EC) No 1272/2008. The complete list of hazard and precautionary statements can be found in the Safety Data Sheet (SDS).

First Aid Measures

Transport (ADR)

UN Number3077
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping NameLenacil (ISO)
Marine PollutantNo

Frequently Asked Questions

What is 3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione?

3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione is an organic chemical compound with molecular formula C13H18N2O2 and CAS number 2164-08-1. This substance belongs to the pyrimidine-dione family and features a cyclohexyl group attached to a tetrahydrocyclopenta-pyrimidine core structure. With a molecular weight of 234.29 g/mol, it is classified as a potential carcinogen (Category 2) and poses environmental hazards to aquatic life.

What are the physicochemical properties of 3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione?

3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione has a molecular weight of 234.29 g/mol and molecular formula C13H18N2O2. The compound contains both nitrogen-containing heterocyclic rings and a cyclohexyl substituent, which influences its physical properties. Specific data regarding its appearance, melting point, boiling point, and solubility characteristics should be obtained from detailed material safety data sheets or technical specifications from suppliers.

What is 3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione used for?

3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione is primarily used as an intermediate in pharmaceutical synthesis and chemical research applications. Its pyrimidine-dione structure makes it valuable for developing bioactive compounds and drug candidates. The substance may also serve as a building block in organic synthesis for creating more complex molecular structures. Due to its specialized nature, it is typically used in laboratory and industrial settings by trained professionals.

How to safely handle 3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione?

3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione requires careful handling due to its carcinogenic properties (Category 2). Always wear appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Work in well-ventilated areas or under fume hoods to avoid inhalation. Avoid direct skin contact and ingestion. Handle the substance in designated areas with proper containment measures and wash hands thoroughly after handling.

How to store 3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione properly?

3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione should be stored in tightly sealed original containers in a cool, dry, well-ventilated area away from direct sunlight and heat sources. Keep the substance away from incompatible materials and oxidizing agents. Store in designated chemical storage areas with appropriate warning labels and restrict access to authorized personnel only. Maintain proper inventory records and regularly inspect containers for signs of damage or deterioration.

What to do in case of contact with 3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione?

In case of skin contact with 3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione, immediately remove contaminated clothing and wash the affected area with plenty of soap and water for at least 15 minutes. For eye contact, flush with clean water for 15 minutes and seek medical attention. If inhaled, move to fresh air immediately. If ingested, do not induce vomiting and seek immediate medical attention. Always consult a physician and provide the safety data sheet.

How to dispose of 3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione appropriately?

3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione must be disposed of as hazardous waste through licensed waste management companies due to its carcinogenic properties and environmental hazards. Never dispose of the substance down drains, into soil, or with regular waste. Collect waste in appropriate containers, clearly labeled with contents and hazard information. Follow local, national, and EU regulations for hazardous waste disposal, including proper documentation and tracking requirements.

How to transport 3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione?

3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione is classified as ADR Class 9 (Miscellaneous dangerous substances), Packing Group III for transportation purposes. This classification requires specific packaging, labeling, and documentation according to international dangerous goods regulations. Shipments must include proper shipping names, UN numbers, and hazard labels. Only use approved packaging and ensure proper documentation accompanies the shipment. Transport should be handled by carriers qualified for dangerous goods.

Is 3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione subject to specific regulations?

3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione is subject to various European regulations including REACH registration requirements and CLP classification as a Category 2 carcinogen with aquatic toxicity. While not currently listed as a Substance of Very High Concern (SVHC), it requires proper hazard communication through safety data sheets and appropriate labeling with GHS08 and GHS09 pictograms. Companies must comply with occupational exposure limits and waste disposal regulations.

Where to buy 3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione in Europe?

3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione is available through OYSI, a specialized European distributor of chemical products. OYSI provides technical support, proper documentation, and ensures compliance with European regulations for this specialized compound. As a professional chemical distributor, OYSI can supply this substance with appropriate safety data sheets, certificates of analysis, and regulatory compliance documentation required for industrial and research applications throughout Europe.

Services for 3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione

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3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione is a dangerous good. We support you with labeling, packaging, and transport documentation.

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Data Sources

Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.