1-[1-ethyl-4-[3-(2-methoxyethoxy)-2-methyl-4-methylsulfonylbenzoyl]pyrazol-5-yl]oxyethyl methyl carbonate
C21H28N2O9S
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Identification
- CAS Number
- 1101132-67-5
- UN Number
- 3077
- Index Number
- 607-755-00-0
- PubChem CID
- 44473182
Physical-chemical properties
- Molecular Formula
- C21H28N2O9S
- Molar Mass
- 484.50 g/mol
- IUPAC Name
- 1-[1-ethyl-4-[3-(2-methoxyethoxy)-2-methyl-4-methylsulfonylbenzoyl]pyrazol-5-yl]oxyethyl methyl carbonate
Chemical Identifiers
- InChI
- InChI=1S/C21H28N2O9S/c1-7-23-20(31-14(3)32-21(25)29-5)16(12-22-23)18(24)15-8-9-17(33(6,26)27)19(13(15)2)30-11-10-28-4/h8-9,12,14H,7,10-11H2,1-6H3
- InChI Key
- GHLCSCRDVVEUQD-UHFFFAOYSA-N
Overview
1-[1-ethyl-4-[3-(2-methoxyethoxy)-2-methyl-4-methylsulfonylbenzoyl]pyrazol-5-yl]oxyethyl methyl carbonate (CAS 1101132-67-5) is a complex organic compound with pyrazole and carbonate functional groups featuring methylsulfonyl substitution. This specialized chemical compound belongs to the pyrazole derivative family and exhibits a sophisticated molecular structure combining multiple functional groups including carbonate, ether, and sulfonyl moieties. With a molecular formula of C21H28N2O9S and molecular weight of 484.5 g/mol, this substance represents an advanced synthetic intermediate commonly utilized in pharmaceutical and agrochemical applications. The compound's complex structure incorporates a pyrazole ring system substituted with ethyl groups and connected to a benzoyl moiety containing methoxyethoxy and methylsulfonyl substituents. This structural complexity contributes to its specific reactivity profile and potential applications in organic synthesis. Like other sulfonyl-containing compounds such as 6-amino-N-methylnaphthalene-2-sulfonamide, it demonstrates significant biological activity potential. Safety considerations are paramount when handling this material, as it carries multiple hazard classifications including carcinogenicity (Category 2), reproductive toxicity (Category 2), and specific target organ toxicity with repeated exposure (Category 2). The compound also presents significant aquatic toxicity concerns, classified as Aquatic Acute 1 and Aquatic Chronic 1, requiring careful environmental protection measures during use and disposal. Primary industrial applications include pharmaceutical intermediate synthesis, agrochemical development, and specialized organic chemistry research. The compound's unique structural features make it valuable for developing novel therapeutic agents and crop protection products. OYSI maintains reliable supply chains for this specialized chemical, ensuring consistent availability for European industrial customers requiring high-purity organic intermediates.
Safety & Classification
Carc. 2; Repr. 2; STOT RE 2; Aquatic Acute 1; Aquatic Chronic 1
GHS Pictograms
HHazard Statements (H-Statements)
Describe the nature and severity of the hazard
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 Number | 3077 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | Tolpyralat |
| Marine Pollutant | No |
Frequently Asked Questions
What is 1-[1-ethyl-4-[3-(2-methoxyethoxy)-2-methyl-4-methylsulfonylbenzoyl]pyrazol-5-yl]oxyethyl methyl carbonate?
1-[1-ethyl-4-[3-(2-methoxyethoxy)-2-methyl-4-methylsulfonylbenzoyl]pyrazol-5-yl]oxyethyl methyl carbonate is a complex organic chemical compound with the molecular formula C21H28N2O9S and CAS number 1101132-67-5. This substance has a molecular weight of 484.5 g/mol and belongs to the carbonate ester family. It contains pyrazole and benzoyl functional groups with methoxyethoxy and methylsulfonyl substituents, making it a highly specialized chemical intermediate.
What are the physicochemical properties of 1-[1-ethyl-4-[3-(2-methoxyethoxy)-2-methyl-4-methylsulfonylbenzoyl]pyrazol-5-yl]oxyethyl methyl carbonate?
This compound is a complex organic molecule with a molecular weight of 484.5 g/mol and molecular formula C21H28N2O9S. The presence of multiple functional groups including carbonate ester, pyrazole ring, and sulfonyl groups suggests it likely exists as a solid at room temperature. The methoxyethoxy substituent indicates potential solubility in polar organic solvents. Specific physical properties such as melting point, boiling point, and exact solubility data require detailed analytical characterization.
What is 1-[1-ethyl-4-[3-(2-methoxyethoxy)-2-methyl-4-methylsulfonylbenzoyl]pyrazol-5-yl]oxyethyl methyl carbonate used for?
This compound is primarily used as a specialized chemical intermediate in pharmaceutical and agrochemical synthesis. Its complex structure containing pyrazole and benzoyl moieties makes it valuable for developing bioactive compounds. The carbonate ester functionality can serve as a protecting group or reactive site in multi-step organic synthesis. Given its molecular complexity, it is typically employed in research and development applications rather than large-scale industrial processes.
How to handle 1-[1-ethyl-4-[3-(2-methoxyethoxy)-2-methyl-4-methylsulfonylbenzoyl]pyrazol-5-yl]oxyethyl methyl carbonate safely?
Safe handling requires appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing due to its Carc. 2 and Repr. 2 classifications. Work should be conducted in well-ventilated areas or under fume hoods to prevent inhalation exposure. Avoid direct skin and eye contact, and prevent ingestion. Use proper grounding procedures to prevent static discharge. Emergency eyewash stations and safety showers should be readily accessible when working with this material.
How to store 1-[1-ethyl-4-[3-(2-methoxyethoxy)-2-methyl-4-methylsulfonylbenzoyl]pyrazol-5-yl]oxyethyl methyl carbonate correctly?
Store this compound in tightly sealed containers in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Given its hazard profile (Carc. 2, Repr. 2, STOT RE 2), it should be stored in designated areas with restricted access and appropriate warning labels. Keep containers upright and protected from physical damage. Segregate from strong oxidizing agents and bases. Regular inventory checks and proper labeling are essential for safe storage management.
What to do in case of contact with 1-[1-ethyl-4-[3-(2-methoxyethoxy)-2-methyl-4-methylsulfonylbenzoyl]pyrazol-5-yl]oxyethyl methyl carbonate?
Immediate action is required due to the substance's hazardous properties. For skin contact, remove contaminated clothing and wash affected area thoroughly with soap and water for at least 15 minutes. In case of eye contact, flush immediately with clean water for at least 15 minutes while holding eyelids open. If inhaled, move person to fresh air and seek medical attention. For ingestion, do not induce vomiting and seek immediate medical attention. Always consult the safety data sheet for specific first aid measures.
How to dispose of 1-[1-ethyl-4-[3-(2-methoxyethoxy)-2-methyl-4-methylsulfonylbenzoyl]pyrazol-5-yl]oxyethyl methyl carbonate properly?
Disposal must comply with local, national, and international environmental regulations due to its Aquatic Acute 1 and Aquatic Chronic 1 classifications. This substance cannot be disposed of in regular waste streams or sewage systems. Contact licensed hazardous waste disposal companies for proper treatment and disposal. Small quantities may require incineration at authorized high-temperature facilities. Maintain detailed disposal records and ensure proper waste classification documentation according to applicable waste codes.
How to transport 1-[1-ethyl-4-[3-(2-methoxyethoxy)-2-methyl-4-methylsulfonylbenzoyl]pyrazol-5-yl]oxyethyl methyl carbonate?
Transportation follows ADR Class 9 (Miscellaneous dangerous goods), Packing Group III regulations. This classification requires appropriate hazard labels, proper packaging specifications, and transport documentation. Vehicles must carry appropriate emergency response information and drivers need proper training for dangerous goods transport. Packages must be marked with the correct shipping name, UN number, and hazard labels. Ensure compliance with international transport regulations (ADR/RID for road/rail, IMDG for sea, IATA for air transport).
Is 1-[1-ethyl-4-[3-(2-methoxyethoxy)-2-methyl-4-methylsulfonylbenzoyl]pyrazol-5-yl]oxyethyl methyl carbonate subject to specific regulations?
This substance is subject to multiple regulatory frameworks including REACH registration requirements in Europe and CLP classification obligations. Its Carc. 2 and Repr. 2 classifications trigger specific labeling, packaging, and notification requirements. While not currently listed as an SVHC, its hazardous properties require compliance with occupational exposure limits and workplace safety regulations. Users must maintain safety data sheets, implement risk management measures, and ensure proper worker training according to chemical safety legislation.
Where to buy 1-[1-ethyl-4-[3-(2-methoxyethoxy)-2-methyl-4-methylsulfonylbenzoyl]pyrazol-5-yl]oxyethyl methyl carbonate in Europe?
OYSI serves as a reliable European distributor for this specialized chemical compound, offering comprehensive supply chain solutions across European markets. As an established chemical distributor, OYSI provides technical support, regulatory compliance assistance, and quality assurance for laboratory and industrial customers. Contact OYSI directly for availability, specifications, and delivery options. Due to the specialized nature and regulatory requirements of this compound, professional consultation is recommended to ensure proper handling and compliance.
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1-[1-ethyl-4-[3-(2-methoxyethoxy)-2-methyl-4-methylsulfonylbenzoyl]pyrazol-5-yl]oxyethyl methyl carbonate is a dangerous good. We support you with labeling, packaging, and transport documentation.
Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.