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 molecular formula C22H17N3O5 and significant toxicological properties. This specialized chemical compound represents a sophisticated pyrimidine-based molecule featuring multiple aromatic rings and functional groups including cyanophenoxy and methoxyprop-2-enoate moieties. With a molecular weight of 403.4 g/mol, this substance exhibits structural complexity that makes it valuable for specific industrial applications requiring precise molecular architecture. The compound's safety profile demands careful handling protocols due to its classification as Acute Tox. 3 and Aquatic Acute 1/Chronic 1 hazards. The GHS06 and GHS09 pictograms indicate both acute toxicity risks and environmental dangers, while the ADR Class 6.1 classification confirms its status as a toxic substance requiring specialized transportation procedures. Unlike simpler aromatic compounds such as N-methylaniline, this multi-ring structure presents enhanced biological activity alongside increased handling complexity. Key safety considerations include proper ventilation, personal protective equipment, and controlled storage conditions to prevent environmental release. The aquatic toxicity classification necessitates stringent containment measures and waste management protocols to protect water systems. Industrial applications typically involve use as an advanced intermediate in pharmaceutical synthesis, specialized agrochemical formulations, and high-performance material development. The compound's unique structural features make it particularly suitable for applications requiring specific molecular recognition properties or biological activity modulation. OYSI maintains strategic inventory of this specialized compound to support European customers requiring reliable access to high-quality technical chemicals for advanced industrial applications.

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 chemical structure containing pyrimidine, phenoxy, and methoxypropenoate functional groups. It is classified as a hazardous substance with acute toxicity properties and environmental risks, requiring careful handling and storage procedures in industrial applications.

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 an organic solid compound with a molecular weight of 403.4 g/mol. The substance contains multiple aromatic rings and polar functional groups, which influence its solubility characteristics. Its complex structure with ester, ether, nitrile, and pyrimidine functionalities determines its chemical stability and reactivity profile. Specific physical properties such as melting point, boiling point, and exact solubility data would require detailed technical specifications from the manufacturer.

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 an intermediate in pharmaceutical and agrochemical synthesis. Its complex structure featuring pyrimidine and phenoxy groups makes it valuable for developing bioactive compounds. The substance serves as a building block in organic synthesis for creating specialized molecules with potential biological activity. Industrial applications typically involve controlled synthesis processes in research laboratories and manufacturing facilities specializing in fine chemicals and active pharmaceutical ingredients.

How to safely handle 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 requires careful handling due to its Acute Tox. 3 classification and environmental hazards. Essential protective equipment includes chemical-resistant gloves, safety goggles, and respiratory protection when handling powders or during synthesis. Work should be conducted in well-ventilated areas or under fume hoods. Avoid skin and eye contact, inhalation, and ingestion. Implement proper hygiene measures including handwashing after handling and removal of contaminated clothing before leaving work areas.

How to properly store 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 must be stored in tightly sealed containers in a cool, dry, well-ventilated area away from incompatible materials. Due to its environmental hazard classification (Aquatic Acute 1, Aquatic Chronic 1), prevent release to the environment and ensure secondary containment. Store away from heat sources, direct sunlight, and moisture. Keep containers properly labeled and segregated from food, feed, and drinking water. Regular inventory checks should be performed to monitor container integrity and substance condition.

What to do in case of contact with 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 exposure requires immediate first aid measures due to its acute toxicity. For skin contact, remove contaminated clothing and rinse with plenty of water for at least 15 minutes. In case of eye contact, flush immediately with 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 emergency services and provide the safety data sheet to medical personnel.

How to properly dispose 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 must be disposed of through licensed hazardous waste management companies due to its toxicity and environmental hazard classifications. The substance cannot be discharged to sewers, water bodies, or soil due to its aquatic toxicity. Contaminated packaging should be treated as hazardous waste. Follow local and national regulations for hazardous chemical disposal, including proper waste classification codes. Incineration at high temperatures in approved facilities may be required, ensuring complete destruction and appropriate emission controls.

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, requiring compliance with dangerous goods transportation regulations. Packages must be properly labeled with GHS06 and GHS09 pictograms and appropriate hazard warnings. Vehicles must carry emergency response information and drivers require dangerous goods training certification. Transportation documentation must include proper shipping names, UN numbers, and emergency contact information. Ensure secure packaging to prevent leakage and environmental contamination during transit.

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

Methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate is subject to REACH regulation for registration, evaluation, and authorization of chemicals in the European Union, though it is not currently listed as a Substance of Very High Concern (SVHC). The substance must comply with CLP regulation for classification, labeling, and packaging as indicated by its GHS pictograms and hazard statements. Additional restrictions may apply for specific uses, and national regulations for toxic substances and environmental protection must be observed across different European countries.

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 and pharmaceutical intermediates. OYSI provides reliable sourcing of complex organic compounds with proper documentation, safety data sheets, and regulatory compliance support. As a professional chemical distributor, OYSI ensures quality control, appropriate packaging, and adherence to transportation regulations for hazardous materials. Contact OYSI directly for availability, technical specifications, and purchasing requirements for this specialized chemical intermediate.

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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.