Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate
C20H23NO3
methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate
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Identification
- CAS Number
- 71626-11-4
- EC Number
- 275-728-7
- UN Number
- 3077
- Index Number
- 616-104-00-X
- PubChem CID
- 51369
Physical-chemical properties
- Molecular Formula
- C20H23NO3
- Molar Mass
- 325.40 g/mol
- IUPAC Name
- methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate
Chemical Identifiers
- InChI
- InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3
- InChI Key
- CJPQIRJHIZUAQP-UHFFFAOYSA-N
Overview
Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate (CAS 71626-11-4) is an organic compound featuring both aniline and ester functional groups with moderate toxicity characteristics. This specialized chemical compound, with the molecular formula C20H23NO3 and a molecular weight of 325.4 g/mol, represents a complex organic molecule incorporating multiple functional groups that contribute to its unique properties. The structure combines a substituted aniline core with phenylacetyl and propanoate ester moieties, creating a compound with specific reactivity patterns and application potential in various industrial processes. From a safety perspective, methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate is classified under several hazard categories requiring careful handling protocols. The compound exhibits acute toxicity (Category 4) and significant aquatic toxicity, both acute and chronic (Category 1), necessitating appropriate environmental protection measures during storage, handling, and disposal. The GHS07 and GHS09 pictograms indicate both health hazards and environmental dangers, while the "Warning" signal word reflects the moderate risk level associated with exposure. The compound's classification under ADR Class 9 (miscellaneous dangerous goods) requires specific transportation protocols for safe logistics management. Industrial applications typically involve its use as an intermediate in pharmaceutical synthesis, specialty chemical manufacturing, and research applications where its unique structural features provide specific reactivity advantages. Unlike simpler compounds such as methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate, this molecule's complex architecture makes it particularly valuable in multi-step synthetic processes. OYSI maintains reliable supply chains for this technical grade compound, ensuring consistent availability for European industrial customers requiring specialized organic intermediates.
Safety & Classification
Acute Tox. 4; 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
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 | 3077 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | Benalaxyl (ISO) |
| Marine Pollutant | No |
Frequently Asked Questions
What is methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate?
Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate is a synthetic organic compound with the molecular formula C20H23NO3 and CAS number 71626-11-4. This chemical substance has a molecular weight of 325.4 g/mol and belongs to the class of aniline derivatives. It is classified as moderately hazardous with acute toxicity properties and environmental concerns for aquatic organisms.
What are the physicochemical properties of methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate?
Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate is an organic ester compound with a molecular weight of 325.4 g/mol and formula C20H23NO3. As a methyl ester derivative of an aniline compound, it typically exists as a solid or viscous liquid at room temperature. The compound contains aromatic rings and ester functionalities, suggesting limited water solubility but good solubility in organic solvents.
What is methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate used for?
Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate is primarily used as a chemical intermediate in pharmaceutical and fine chemical synthesis. Its aniline-derived structure makes it valuable for developing active pharmaceutical ingredients, particularly in the synthesis of analgesic or anti-inflammatory compounds. The substance may also serve as a building block in organic synthesis for research and development applications in specialized chemical manufacturing.
How to handle methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate safely?
Safe handling of methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate requires appropriate personal protective equipment due to its Acute Tox. 4 classification. Wear chemical-resistant gloves, safety goggles, and protective clothing. Ensure adequate ventilation to prevent inhalation exposure. Avoid skin and eye contact, and do not ingest. Use in well-ventilated areas or under fume hoods, and wash hands thoroughly after handling.
How to store methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate correctly?
Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from heat sources and direct sunlight. Keep containers properly labeled and store separately from incompatible materials such as strong oxidizers and acids. Ensure storage areas are equipped with appropriate spill control measures and maintain temperatures within recommended ranges to prevent degradation.
What to do in case of contact with methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate?
In case of skin contact with methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate, immediately wash with plenty of water and soap for at least 15 minutes. For eye contact, rinse immediately with water for 15 minutes and seek medical attention. If inhaled, move to fresh air immediately. In case of ingestion, do not induce vomiting and seek immediate medical attention. Always consult a physician if symptoms persist.
How to dispose of methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate properly?
Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate must be disposed of according to local and national regulations due to its environmental hazard classification (Aquatic Acute 1, Aquatic Chronic 1). Contact licensed waste disposal companies for proper treatment and disposal. Do not discharge into drains, waterways, or soil. Incineration at high temperatures in approved facilities is typically the preferred disposal method for organic compounds of this type.
How to transport methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate?
Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate is classified as ADR Class 9 (Miscellaneous dangerous substances), Packing Group III for transportation purposes. It requires appropriate packaging, labeling with GHS07 and GHS09 pictograms, and proper shipping documentation. Transportation must comply with ADR regulations for Class 9 substances, including specific packaging requirements and vehicle placarding. Only authorized carriers should handle the transport of this material.
Is methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate subject to specific regulations?
Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate is subject to CLP regulation with Warning signal word and specific hazard classifications (Acute Tox. 4, Aquatic Acute 1, Aquatic Chronic 1). It falls under REACH registration requirements for chemical substances in the EU. The substance is not currently listed as SVHC (Substance of Very High Concern), but users must comply with safety data sheet requirements and workplace exposure regulations.
Where to buy methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate in Europe?
Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate is available through OYSI, a specialized European distributor of technical chemicals and pharmaceutical intermediates. OYSI provides high-quality chemical products with proper documentation, safety data sheets, and regulatory compliance for European markets. Contact OYSI directly for availability, specifications, and technical support for this specialized chemical compound in your specific application requirements.
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Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate 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.