Ethyl 4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine-1-carboxylate

C27H30Cl2N4O5

ethyl 4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine-1-carboxylate

CAS67914-69-6
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
67914-69-6
EC Number
428-030-3
UN Number
3077
Index Number
607-587-00-8
PubChem CID
158496

Physical-chemical properties

Molecular Formula
C27H30Cl2N4O5
Molar Mass
561.50 g/mol
IUPAC Name
ethyl 4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine-1-carboxylate

Chemical Identifiers

InChI
InChI=1S/C27H30Cl2N4O5/c1-2-35-26(34)33-13-11-32(12-14-33)21-4-6-22(7-5-21)36-16-23-17-37-27(38-23,18-31-10-9-30-19-31)24-8-3-20(28)15-25(24)29/h3-10,15,19,23H,2,11-14,16-18H2,1H3/t23-,27-/m0/s1
InChI Key
VEVFSWCSRVJBSM-HOFKKMOUSA-N

Overview

Ethyl 4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine-1-carboxylate (CAS 67914-69-6) is a complex organic pharmaceutical intermediate with antifungal properties and specific stereochemical configuration. This sophisticated chemical compound represents a highly specialized pharmaceutical intermediate characterized by its complex molecular structure containing multiple functional groups including dichlorophenyl, imidazole, dioxolane, and piperazine moieties. With a molecular formula of C27H30Cl2N4O5 and molecular weight of 561.5 g/mol, this substance demonstrates the intricate nature of modern pharmaceutical chemistry. The compound's stereochemical designation (2R,4S) indicates precise three-dimensional molecular arrangement, which is crucial for its biological activity and therapeutic efficacy. The substance is classified under multiple hazard categories including Acute Toxicity Category 4, Specific Target Organ Toxicity (Repeated Exposure) Category 2, and both acute and chronic aquatic toxicity Category 1, requiring careful handling protocols. The GHS pictograms GHS07, GHS08, and GHS09 with "Warning" signal word emphasize the need for appropriate safety measures during storage, handling, and transportation. As an ADR Class 9 material, it requires specialized shipping procedures for dangerous goods transport. Primary industrial applications include pharmaceutical synthesis as an intermediate compound, advanced chemical research for drug development, and specialized manufacturing processes requiring precise stereochemical control. Unlike simpler compounds such as 3-(4-chlorophenyl)-1-methoxy-1-methylurea, this molecule's complexity makes it valuable for highly specific therapeutic applications. The compound's relationship to other specialized chemicals like 6-amino-N-methylnaphthalene-2-sulfonamide demonstrates its position within advanced pharmaceutical chemistry frameworks. OYSI maintains reliable supply chains for this specialized pharmaceutical intermediate, supporting European chemical and pharmaceutical industries with consistent quality and regulatory compliance.

Safety & Classification

Warning
Classification:

Acute Tox. 4 *; STOT RE 2 *; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H302

Harmful if swallowed.

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

Ingestion

Harmful

Measures if substance is accidentally swallowed

First Aid Actions

  • +P301IF SWALLOWED:
  • +P330Rinse mouth.
  • +P331Do NOT induce vomiting.
  • +P310Immediately call 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 Number3077
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping NameEthyl-cis-4-(4-((2-(2,4-dichlorphenyl)-2-(1H-imidazol-1-yl-methyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazin-1-carboyxyxlat
Marine PollutantNo

Frequently Asked Questions

What is ethyl 4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine-1-carboxylate?

Ethyl 4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine-1-carboxylate is an antifungal agent with CAS number 67914-69-6. This complex organic compound has a molecular formula of C27H30Cl2N4O5 and a molecular weight of 561.5 g/mol. It contains dichlorophenyl, imidazole, dioxolane, and piperazine structural components, making it effective against fungal infections through specific enzymatic inhibition mechanisms.

What are the physicochemical properties of ethyl 4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine-1-carboxylate?

Ethyl 4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine-1-carboxylate is a solid compound at room temperature with moderate lipophilicity due to its aromatic rings and ethyl ester group. The presence of imidazole and piperazine rings provides basic properties, while the dichlorophenyl substituent influences its solubility profile. The compound's complex structure affects its stability and bioavailability characteristics.

What is ethyl 4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine-1-carboxylate used for?

Ethyl 4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine-1-carboxylate is primarily used as an antifungal pharmaceutical intermediate and research compound. It serves in the development of antifungal medications and therapeutic research applications. The compound is utilized in pharmaceutical manufacturing, laboratory research, and drug formulation studies where precise antifungal activity is required for specific therapeutic targets.

How to handle ethyl 4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine-1-carboxylate safely?

Safe handling requires appropriate personal protective equipment including gloves, safety goggles, and laboratory coats due to its Acute Tox. 4 and STOT RE 2 classifications. Work in well-ventilated areas or under fume hoods to prevent inhalation exposure. Avoid skin and eye contact, and implement proper hygiene measures including hand washing after handling. Use appropriate engineering controls and follow established laboratory safety protocols to minimize exposure risks.

How to store ethyl 4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine-1-carboxylate correctly?

Store in tightly sealed containers in a cool, dry place away from direct sunlight and heat sources. Keep containers properly labeled and maintain controlled temperature conditions to preserve chemical stability. Ensure adequate ventilation in storage areas and separate from incompatible materials. Implement proper inventory management and access control measures, especially considering its hazard classifications. Regular inspection of container integrity is recommended to prevent environmental release.

What to do in case of contact with ethyl 4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine-1-carboxylate?

Immediate first aid measures include removing contaminated clothing and flushing affected skin or eyes with plenty of water for at least 15 minutes. If inhaled, move the person to fresh air immediately and monitor breathing. In case of ingestion, do not induce vomiting and seek immediate medical attention. Contact emergency services if severe symptoms develop and provide the safety data sheet to medical personnel for proper treatment guidance.

How to dispose of ethyl 4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine-1-carboxylate properly?

Disposal must comply with local, national, and international waste regulations due to its environmental hazard classifications (Aquatic Acute 1, Aquatic Chronic 1). Contact authorized waste disposal companies specializing in pharmaceutical and chemical waste treatment. Prevent release to waterways, sewers, or soil. Incineration at approved high-temperature facilities may be required. Maintain proper documentation of disposal procedures and quantities for regulatory compliance and environmental protection.

How to transport ethyl 4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine-1-carboxylate?

Transport follows ADR Class 9 regulations as a miscellaneous dangerous substance with Packing Group III classification. Use appropriate UN-specification packaging with proper labeling and documentation. Ensure compliance with dangerous goods transportation requirements including driver certification and vehicle placarding. Implement proper loading, securing, and segregation procedures during transport. Emergency response information must accompany shipments for incident management.

Is ethyl 4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine-1-carboxylate subject to specific regulations?

The compound is subject to CLP regulation for classification, labeling, and packaging requirements due to its hazard classifications. REACH registration obligations may apply depending on import/manufacture quantities and uses. While not currently listed as an SVHC substance, its pharmaceutical nature may trigger additional regulatory oversight. Compliance with pharmaceutical regulations and environmental protection laws is mandatory, particularly regarding aquatic environmental protection due to its environmental hazard profile.

Where to buy ethyl 4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine-1-carboxylate in Europe?

OYSI serves as a reliable European distributor for ethyl 4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine-1-carboxylate, providing quality chemical products to pharmaceutical and research industries. As an established chemical distributor, OYSI ensures proper handling, documentation, and regulatory compliance throughout the supply chain. Contact OYSI directly for product availability, specifications, and technical support to meet your specific pharmaceutical research or manufacturing requirements.

Services for Ethyl 4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine-1-carboxylate

ADR Consulting for Ethyl 4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine-1-carboxylate

Ethyl 4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine-1-carboxylate 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.