1-[1-ethyl-4-[3-(2-methoxyethoxy)-2-methyl-4-methylsulfonylbenzoyl]pyrazol-5-yl]oxyethyl methyl carbonate

C21H28N2O9S

CAS1101132-67-5
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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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 carbonate ester with pyrazole functionality for specialized industrial applications. This sophisticated chemical compound belongs to the family of carbonate esters featuring a distinctive pyrazole ring system combined with methylsulfonyl and methoxyethoxy substituents. With a molecular formula of C21H28N2O9S and molecular weight of 484.5 g/mol, this substance represents an advanced intermediate in organic synthesis pathways. The compound's structural complexity, incorporating both carbonate and sulfonyl functional groups, makes it particularly valuable for applications requiring specific reactivity profiles. The substance exhibits significant safety considerations, classified under GHS with pictograms GHS08 and GHS09, indicating potential health and environmental hazards. It carries classifications for carcinogenicity (Category 2), reproductive toxicity (Category 2), specific target organ toxicity following repeated exposure (Category 2), and acute and chronic aquatic toxicity (Category 1). These classifications necessitate careful handling protocols and appropriate containment measures during storage and processing. Transportation falls under ADR Class 9, requiring specialized logistics considerations. Industrial applications typically include use as an intermediate in pharmaceutical synthesis, specialty polymer production, and advanced materials development. The compound's unique structural features make it particularly suitable for creating complex molecular architectures where controlled reactivity is essential. Unlike simpler carbamates such as propan-2-yl N-(3-chlorophenyl)carbamate, this carbonate ester offers enhanced selectivity in synthetic transformations. Its applications may overlap with other sulfonyl-containing compounds like 2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione in specialized chemical processes. OYSI maintains this technical-grade chemical compound in its European distribution network, ensuring reliable supply for qualified industrial customers requiring this specialized intermediate.

Safety & Classification

Warning
Classification:

Carc. 2; Repr. 2; STOT RE 2; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H351

Suspected of causing cancer.

H373

May cause damage to organs through prolonged or repeated exposure.

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 NameTolpyralat
Marine PollutantNo

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 an organic chemical compound with CAS number 1101132-67-5 and molecular formula C21H28N2O9S. This complex molecule features a pyrazole ring system combined with carbonate and sulfonyl functional groups, giving it a molecular weight of 484.5 g/mol. The substance is classified as hazardous with carcinogenic and reproductive toxicity properties, requiring careful handling in professional applications.

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 has a molecular weight of 484.5 g/mol and contains multiple functional groups including pyrazole, carbonate, and methylsulfonyl moieties. The presence of both hydrophilic (methoxyethoxy, carbonate) and lipophilic (ethyl, methyl) groups suggests moderate polarity. The compound's complex structure with multiple aromatic and aliphatic components likely results in limited water solubility. Specific physical properties such as melting point, boiling point, and exact solubility data would require experimental determination or supplier specification sheets.

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 an intermediate or specialty chemical in pharmaceutical research and development, particularly given its complex pyrazole-based structure. The presence of carbonate and sulfonyl functional groups suggests potential applications in medicinal chemistry, possibly as a synthetic building block for drug development. Its specific molecular architecture makes it suitable for specialized chemical synthesis processes where precise molecular modifications are required. Industrial applications would typically be limited to professional chemical manufacturing environments.

How to safely handle 1-[1-ethyl-4-[3-(2-methoxyethoxy)-2-methyl-4-methylsulfonylbenzoyl]pyrazol-5-yl]oxyethyl methyl carbonate?

Safe handling requires comprehensive personal protective equipment due to its Carc. 2 and Repr. 2 classifications. Operators must wear chemical-resistant gloves, safety goggles, and protective clothing to prevent skin and eye contact. Work should be conducted in well-ventilated areas or under fume extraction systems to minimize inhalation exposure. Avoid generating dust or aerosols, and implement strict hygiene measures including thorough hand washing. Due to its carcinogenic and reproductive toxicity potential, pregnant workers should avoid exposure entirely.

How to properly store 1-[1-ethyl-4-[3-(2-methoxyethoxy)-2-methyl-4-methylsulfonylbenzoyl]pyrazol-5-yl]oxyethyl methyl carbonate?

This compound should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from direct sunlight and heat sources. Given its hazardous classification, storage areas must be clearly labeled and access restricted to authorized personnel only. The storage facility should include appropriate spill containment measures and emergency response equipment. Keep away from incompatible materials such as strong oxidizing agents. Temperature-controlled storage may be necessary to maintain product stability, and regular inventory checks should monitor container integrity.

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 decontamination is essential due to the compound's hazardous properties. For skin contact, remove contaminated clothing and wash the affected area thoroughly with soap and water for at least 15 minutes. In case of eye contact, flush immediately with clean water for 15-20 minutes while holding eyelids open. If inhaled, move the person to fresh air immediately. For ingestion, do not induce vomiting and seek immediate medical attention. Always consult a poison control center or medical professional, providing the safety data sheet for reference.

How to properly dispose of 1-[1-ethyl-4-[3-(2-methoxyethoxy)-2-methyl-4-methylsulfonylbenzoyl]pyrazol-5-yl]oxyethyl methyl carbonate?

Disposal must comply with local, national, and international hazardous waste regulations due to its classification as Carc. 2, Repr. 2, and aquatic toxicity. The substance cannot be disposed of as regular waste and requires specialized hazardous waste treatment. Contact licensed hazardous waste disposal companies for proper collection and treatment. Incineration at authorized high-temperature facilities may be appropriate, but pre-treatment might be necessary. Empty containers should also be treated as hazardous waste unless properly decontaminated according to regulatory standards.

How to transport 1-[1-ethyl-4-[3-(2-methoxyethoxy)-2-methyl-4-methylsulfonylbenzoyl]pyrazol-5-yl]oxyethyl methyl carbonate?

Transportation is regulated under ADR Class 9 (Miscellaneous dangerous substances), Packing Group III, indicating moderate danger level during transport. Packages must bear appropriate UN identification numbers and hazard labels including GHS08 and GHS09 pictograms. Vehicles must carry proper documentation including transport documents and emergency response information. Drivers require ADR training certification for Class 9 materials. Packaging must meet UN specification standards for Packing Group III, ensuring secure containment during normal transport conditions while preventing environmental release.

Is 1-[1-ethyl-4-[3-(2-methoxyethoxy)-2-methyl-4-methylsulfonylbenzoyl]pyrazol-5-yl]oxyethyl methyl carbonate subject to special regulations?

This compound is subject to extensive European chemical regulations including REACH registration requirements and CLP classification obligations. While not currently listed as a Substance of Very High Concern (SVHC), its Carc. 2 and Repr. 2 classifications trigger specific labeling, safety data sheet, and handling requirements under CLP. Companies using this substance must ensure proper risk assessments, worker protection measures, and environmental safeguards. Import/export may require additional permits, and users must maintain compliance with occupational health and environmental protection standards.

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 professional-grade materials with proper documentation and regulatory compliance. As an established chemical distributor, OYSI provides comprehensive support including safety data sheets, certificates of analysis, and technical guidance for handling requirements. European customers benefit from streamlined logistics, regulatory expertise, and quality assurance. Contact OYSI directly for availability, packaging options, and delivery arrangements, ensuring all transport and handling comply with European chemical safety regulations.

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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.

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Data Sources

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