3-O-ethyl 5-O-methyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
C20H25ClN2O5
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Identification
- CAS Number
- 88150-42-9
- EC Number
- 425-820-1
- UN Number
- 2811
- Index Number
- 607-565-00-8
- PubChem CID
- 2162
Physical-chemical properties
- Molecular Formula
- C20H25ClN2O5
- Molar Mass
- 408.90 g/mol
- IUPAC Name
- 3-O-ethyl 5-O-methyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Identifiers
- InChI
- InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,23H,4,9-11,22H2,1-3H3
- InChI Key
- HTIQEAQVCYTUBX-UHFFFAOYSA-N
Overview
3-O-ethyl 5-O-methyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate (CAS 88150-42-9) is a dihydropyridine derivative with calcium channel blocking properties and complex molecular architecture. This pharmaceutical intermediate belongs to the dihydropyridine class of compounds, characterized by its distinctive 1,4-dihydropyridine ring system substituted with ethyl and methyl carboxylate groups. The molecular structure features a 2-chlorophenyl substituent at position 4 and an aminoethoxymethyl side chain, contributing to its molecular weight of 408.9 g/mol and formula C20H25ClN2O5. The compound exhibits significant biological activity due to its structural similarity to known calcium channel antagonists. From a safety perspective, this substance requires careful handling protocols due to its classification under multiple hazard categories. The compound presents acute toxicity concerns (Acute Tox. 3), potential for serious eye damage (Eye Dam. 1), and specific target organ toxicity with repeated exposure (STOT RE 2). Environmental considerations are equally important, as it demonstrates both acute and chronic aquatic toxicity. The GHS06, GHS08, GHS05, and GHS09 pictograms reflect these diverse hazard profiles, necessitating appropriate personal protective equipment and containment measures during handling and storage. Industrial applications typically center around pharmaceutical research and development, particularly in cardiovascular drug synthesis and calcium channel blocker research programs. The compound also serves as a valuable synthetic intermediate for developing novel therapeutic agents with enhanced selectivity profiles. Unlike simpler compounds such as 1-chloro-4-isocyanatobenzene, this complex dihydropyridine requires specialized synthetic approaches and purification techniques. OYSI maintains reliable supply chains for this specialized pharmaceutical intermediate, supporting research institutions and pharmaceutical companies across Europe with consistent quality and regulatory compliance.
Safety & Classification
Acute Tox. 3 *; STOT RE 2 *; Eye Dam. 1; Aquatic Acute 1; Aquatic Chronic 1
GHS Pictograms
Skull and Crossbones
GHS06
Acute toxicity. Fatal if swallowed, in contact with skin, or if inhaled.
Health Hazard
GHS08
Serious health hazard. May cause cancer, organ damage, or genetic defects.
Corrosion
GHS05
Corrosive. Causes severe skin burns and eye damage.
Environment
GHS09
Environmental hazard. Toxic to aquatic life with long lasting effects.
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
Eye Contact
Measures if substance gets into the eyes
First Aid Actions
- +P305IF IN EYES:
- +P351Rinse cautiously with water for several minutes.
- +P338Remove contact lenses, if present and easy to do. Continue rinsing.
- +P313Get medical advice/attention.
Related hazard statements:
Ingestion
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 Number | 2811 |
| ADR Class | 6.1 |
| Packing Group | I |
| Tunnel Code | C/E |
| Proper Shipping Name | 3-Ethyl-5-methyl-2-(2-aminoethoxymethyl)-4-(2-chlorphenyl)-1,4-dihydro-6-methyl-3,5-pyridindicarboxylat |
| Marine Pollutant | No |
Frequently Asked Questions
What is 3-O-ethyl 5-O-methyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate?
3-O-ethyl 5-O-methyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate is a complex organic compound with molecular formula C20H25ClN2O5 and CAS number 88150-42-9. This dihydropyridine derivative has a molecular weight of 408.9 g/mol and belongs to a class of compounds often associated with calcium channel blocking activity. The molecule contains multiple functional groups including ethyl and methyl esters, an aminoethoxymethyl side chain, and a chlorinated phenyl ring attached to the dihydropyridine core structure.
What are the physicochemical properties of 3-O-ethyl 5-O-methyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate?
This compound is an organic solid with a molecular weight of 408.9 g/mol and molecular formula C20H25ClN2O5. As a dihydropyridine derivative containing both polar (amino, ester) and nonpolar (chlorophenyl) functional groups, it likely exhibits moderate solubility in organic solvents and limited water solubility. The presence of the amino group suggests potential for salt formation with acids. The compound's stability and exact physical appearance would depend on storage conditions and purity grade.
What is 3-O-ethyl 5-O-methyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate used for?
This dihydropyridine derivative is primarily used in pharmaceutical research and development applications. Compounds of this structural class are commonly investigated for their potential calcium channel modulating properties and cardiovascular therapeutic effects. It may serve as a research intermediate, reference standard, or active pharmaceutical ingredient precursor in drug discovery programs. The specific aminoethoxymethyl substitution pattern suggests targeted pharmaceutical applications, though specific therapeutic uses would require detailed pharmacological studies and regulatory approval.
How to safely handle 3-O-ethyl 5-O-methyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate?
Safe handling requires strict safety protocols due to its Acute Tox. 3 and Eye Dam. 1 classifications. Always wear appropriate PPE including chemical-resistant gloves, safety goggles, and protective clothing. Work in well-ventilated areas or under fume extraction to avoid inhalation. Prevent skin and eye contact as the substance can cause severe eye damage. Use proper laboratory techniques, avoid eating, drinking, or smoking in work areas, and wash hands thoroughly after handling. Implement emergency procedures and ensure safety shower and eyewash stations are accessible.
How to properly store 3-O-ethyl 5-O-methyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate?
Store this compound in a cool, dry, well-ventilated area away from direct sunlight and heat sources. Use tightly sealed, properly labeled containers to prevent contamination and moisture absorption. Due to its hazardous classification, store in a designated chemical storage area with restricted access. Keep away from incompatible materials such as strong oxidizers and bases. Implement proper inventory management and regular inspection of storage conditions. Ensure storage area has appropriate spill containment and emergency equipment readily available.
What to do in case of contact with 3-O-ethyl 5-O-methyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate?
In case of eye contact, immediately flush with plenty of water for at least 15 minutes and seek immediate medical attention due to Eye Dam. 1 classification. For skin contact, remove contaminated clothing and wash affected area thoroughly with soap and water. If inhaled, move person to fresh air and seek medical attention if symptoms develop. In case of ingestion, do not induce vomiting and seek immediate medical attention due to acute toxicity. Always provide the safety data sheet to medical personnel for proper treatment guidance.
How to properly dispose of 3-O-ethyl 5-O-methyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate?
Disposal must comply with local, national, and EU waste regulations due to its hazardous classification. This substance requires disposal as hazardous chemical waste through licensed waste management companies. Never dispose of via regular waste streams or sewage systems due to its Aquatic Acute 1 and Aquatic Chronic 1 classifications. Collect waste in properly labeled, compatible containers and maintain detailed waste documentation. Consider incineration at authorized high-temperature facilities as the preferred disposal method for organic pharmaceutical compounds.
How to transport 3-O-ethyl 5-O-methyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate?
Transport is regulated under ADR Class 6.1, Packing Group I, indicating high toxicity requiring strict packaging and documentation requirements. Use UN-approved packaging suitable for Packing Group I substances, with proper hazard labels and shipping documents. Only authorized carriers trained in dangerous goods transport should handle shipments. Ensure packages are properly marked with UN number, proper shipping name, and hazard labels. Transport vehicles must carry appropriate emergency equipment and documentation. Follow all ADR regulations for route restrictions and driver certification requirements.
Is 3-O-ethyl 5-O-methyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate subject to specific regulations?
This substance is subject to EU CLP regulation due to its hazardous classifications (Acute Tox. 3, STOT RE 2, Eye Dam. 1, Aquatic toxicity). It falls under REACH registration requirements if manufactured or imported above threshold quantities. The compound is not currently listed as a SVHC (Substance of Very High Concern). As a pharmaceutical intermediate, it may also be subject to additional pharmaceutical regulations and good manufacturing practices. Users must comply with occupational safety regulations and environmental protection measures due to its hazardous properties.
Where to buy 3-O-ethyl 5-O-methyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate in Europe?
OYSI is a reliable European distributor for this specialized pharmaceutical compound, offering professional chemical distribution services across Europe. As experienced suppliers of research chemicals and pharmaceutical intermediates, OYSI can provide this substance with proper documentation, safety data sheets, and regulatory compliance support. Our European network ensures efficient logistics and technical support for laboratory and research applications. Contact OYSI directly for availability, specifications, and delivery options tailored to your specific research requirements and regulatory needs.
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3-O-ethyl 5-O-methyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate 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.