Methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate

C22H17N3O5

methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate

CAS131860-33-8
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
131860-33-8
UN Number
2588
Index Number
607-256-00-8
PubChem CID
3034285

Physical-chemical properties

Molecular Formula
C22H17N3O5
Molar Mass
403.40 g/mol
IUPAC Name
methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate

Chemical Identifiers

InChI
InChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+
InChI Key
WFDXOXNFNRHQEC-GHRIWEEISA-N

Overview

Methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate (CAS 131860-33-8) is a complex organic compound with pyrimidine and phenoxy functional groups exhibiting significant biological activity. This sophisticated chemical compound, with molecular formula C22H17N3O5 and molecular weight 403.4 g/mol, belongs to a class of synthetic organic molecules featuring multiple aromatic ring systems interconnected through ether and ester linkages. The structure incorporates a pyrimidine core substituted with cyanophenoxy and phenyl groups, along with a methoxyprop-2-enoate side chain, creating a molecule with diverse chemical properties and biological potential. The compound presents significant safety considerations, classified under acute toxicity category 3 with environmental hazard classifications for both acute and chronic aquatic toxicity. Its hazard profile requires careful handling protocols, as indicated by the danger signal word and associated GHS pictograms GHS06 and GHS09. Transportation falls under ADR class 6.1, reflecting its toxic properties and necessitating appropriate shipping procedures. From a structural perspective, this compound shares certain characteristics with other biologically active molecules, though it differs significantly from simpler aromatic compounds like N-methylaniline in terms of complexity and functional group diversity. The multi-ring architecture and specific substitution pattern contribute to its unique properties and potential applications. Primary industrial applications include use as an intermediate in pharmaceutical synthesis, agrochemical development, and specialized research applications where its specific molecular architecture provides desired biological or chemical properties. The compound's complex structure makes it valuable in developing targeted active ingredients and specialty chemical formulations. OYSI maintains reliable supply chains for this specialized chemical compound, ensuring consistent availability for European industrial customers requiring high-quality technical materials.

Safety & Classification

Danger
Classification:

Acute Tox. 3; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H331

Toxic if inhaled.

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

Inhalation

Toxic

Measures if vapours or dust are inhaled

First Aid Actions

  • +P304IF INHALED:
  • +P340Remove person to fresh air and keep comfortable for breathing.
  • +P311Call a POISON CENTER/doctor.

Related hazard statements:

General Measures

Emergency 112 | Poison Control: +49 30 19240 (DE), +33 1 45 42 59 59 (FR), +31 30 274 88 88 (NL)

First aid measures are based on CLP classification and associated P-statements. They do not replace the Safety Data Sheet (SDS). In case of emergency, always consult the full SDS and a physician.

Transport (ADR)

UN Number2588
ADR Class6.1
Packing GroupIII
Tunnel CodeE
Proper Shipping NameAzoxystrobin (ISO)
Marine PollutantNo

Frequently Asked Questions

What is methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate?

Methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate is a complex organic compound with CAS number 131860-33-8 and molecular formula C22H17N3O5. This substance has a molecular weight of 403.4 g/mol and features a sophisticated structure containing pyrimidine, phenoxy, and methacrylate functional groups. It is classified as a hazardous chemical with acute toxicity and environmental hazard properties, requiring careful handling and specialized safety measures.

What are the physicochemical properties of methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate?

Methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate is a solid organic compound at room temperature with a molecular weight of 403.4 g/mol. The substance contains multiple aromatic rings and functional groups including nitrile, ether, and ester moieties. Its complex structure suggests limited water solubility but potential solubility in organic solvents. Specific physical properties such as melting point, density, and exact solubility parameters should be confirmed through technical documentation.

What is methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate used for?

Methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate is primarily used as a chemical intermediate in pharmaceutical and agrochemical synthesis. Its complex structure containing pyrimidine and phenoxy groups makes it valuable for developing bioactive compounds. The substance may serve as a building block in the production of specialized chemicals, research applications, or as a precursor in multi-step synthetic processes requiring precise molecular architecture.

How to handle methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate safely?

Methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate requires strict safety precautions due to its Acute Tox. 3 classification. Essential protective equipment includes chemical-resistant gloves, safety goggles, and respiratory protection. Work in well-ventilated areas or under fume extraction systems. Avoid skin and eye contact, inhalation, and ingestion. Implement proper hygiene measures including hand washing and contaminated clothing removal. Emergency procedures and safety data sheets must be readily accessible to all handlers.

How to store methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate correctly?

Methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate must be stored in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Use tightly sealed original containers in designated chemical storage areas with appropriate secondary containment. Due to its environmental hazard classification, prevent release to soil and water systems. Implement temperature control and moisture protection measures. Maintain proper inventory management and ensure storage areas meet local regulatory requirements for toxic substances.

What to do in case of contact with methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate?

Immediate first aid measures are critical due to the acute toxicity of this substance. For skin contact, remove contaminated clothing and wash thoroughly with soap and water for at least 15 minutes. In case of eye contact, rinse immediately with clean water for 15-20 minutes and remove contact lenses if present. If inhaled, move to fresh air immediately. For ingestion, do not induce vomiting and seek immediate medical attention. Always consult poison control or emergency medical services while providing the safety data sheet.

How to dispose of methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate appropriately?

Methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate requires disposal as hazardous waste through licensed waste management facilities. Due to its acute toxicity and environmental hazard classification, it cannot be disposed of in regular waste streams or released to sewers or environment. Contact certified hazardous waste disposal companies for proper treatment methods such as high-temperature incineration. Maintain disposal documentation and comply with local, national, and EU waste regulations including the Waste Framework Directive.

How to transport methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate?

Methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate is classified as ADR Class 6.1 (toxic substances), Packing Group III. Transport requires appropriate dangerous goods packaging, labeling with GHS06 and GHS09 pictograms, and proper shipping documentation. Vehicles must carry emergency response information and drivers need ADR certification. Packaging must meet UN specifications for toxic substances and prevent environmental release. Consult current ADR regulations for specific packaging instructions and transport requirements.

Is methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate subject to particular regulations?

Methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate is subject to EU REACH regulation requiring registration for commercial use. The substance is classified under CLP Regulation with GHS06 and GHS09 pictograms, requiring appropriate labeling and safety data sheets. It is not currently listed as an SVHC (Substance of Very High Concern). Companies must comply with occupational safety regulations, environmental protection laws, and transport regulations (ADR Class 6.1) throughout the supply chain.

Where to buy methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate in Europe?

Methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides professional-grade chemicals to research institutions, pharmaceutical companies, and industrial customers across Europe. As a specialized substance requiring expert handling, it is typically available through established chemical supply networks rather than general suppliers. Contact OYSI directly for availability, specifications, documentation, and technical support to ensure compliance with safety and regulatory requirements.

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Methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate 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.