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 a complex organic compound with anilide structure featuring both ester and amide functional groups. This specialized chemical intermediate belongs to the family of N-acylated aniline derivatives, characterized by its molecular formula C20H23NO3 and molecular weight of 325.4 g/mol. The compound's structure incorporates a methyl propanoate backbone linked to a substituted aniline ring system through an N-(2-phenylacetyl) bridge, with two methyl substituents at the 2,6-positions of the aromatic ring. This structural arrangement confers specific chemical reactivity patterns and physicochemical properties that make it valuable for various synthetic applications. From a safety perspective, methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate is classified under multiple hazard categories including Acute Toxicity Category 4 and Aquatic toxicity (both Acute 1 and Chronic 1). The compound carries Warning signal word with GHS07 and GHS09 pictograms, indicating both health hazards and environmental concerns. Transportation falls under ADR Class 9 (miscellaneous dangerous goods), requiring appropriate handling protocols and documentation. Industrial applications primarily center around pharmaceutical intermediate synthesis and specialty chemical manufacturing. The compound serves as a building block in the development of bioactive molecules and can function as a precursor in multi-step synthetic pathways. Its structural similarity to other aromatic esters like methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate makes it particularly useful in parallel synthetic strategies where comparable reactivity profiles are desired. OYSI maintains reliable supply chains for methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate, supporting European chemical manufacturers with consistent quality and comprehensive regulatory documentation.
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 an organic chemical compound with CAS number 71626-11-4 and molecular formula C20H23NO3. This substance has a molecular weight of 325.4 g/mol and belongs to the class of substituted aniline derivatives. It is classified as hazardous with acute toxicity properties and environmental concerns for aquatic life, requiring careful handling and storage according to safety regulations.
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 a complex organic molecule with a molecular weight of 325.4 g/mol and formula C20H23NO3. As a substituted aniline ester derivative, it typically appears as a solid or viscous liquid at room temperature. The compound contains aromatic rings, ester, and amide functional groups, which influence its solubility and chemical behavior. Specific physical properties such as melting point and solubility should be confirmed through technical datasheets.
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 an intermediate in pharmaceutical synthesis and fine chemical manufacturing. Its complex structure containing aniline and ester functionalities makes it valuable for the production of specialized organic compounds. The substance may also serve in research and development applications within the pharmaceutical and chemical industries, particularly in the synthesis of bioactive molecules and specialty chemicals requiring specific structural motifs.
How to handle methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate safely?
Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate requires careful handling due to its Acute Tox. 4 classification. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and appropriate respiratory protection when handling larger quantities. Work should be conducted in well-ventilated areas or under fume extraction. Avoid skin and eye contact, and prevent inhalation of vapors or dust. Ensure proper training and emergency procedures are in place before handling this substance.
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 a cool, dry, well-ventilated area away from heat sources and direct sunlight. Use original containers or compatible chemical-resistant containers with proper labeling. Due to its environmental classification (Aquatic Acute 1, Aquatic Chronic 1), implement secondary containment measures to prevent environmental release. Store separately from incompatible materials and ensure access is restricted to trained personnel only.
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 remove contaminated clothing and wash thoroughly with soap and water for at least 15 minutes. For eye contact, rinse immediately with plenty of clean water for 15 minutes and seek medical attention. If inhaled, move to fresh air and monitor breathing. If ingested, do not induce vomiting and seek immediate medical attention. Always consult the safety data sheet for specific emergency procedures.
How to dispose of methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate appropriately?
Methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate must be disposed of through licensed hazardous waste disposal services due to its toxicity and environmental classification. The substance cannot be discharged to sewers or the environment due to its Aquatic Acute 1 and Aquatic Chronic 1 classifications. Contact certified waste management companies for proper disposal according to local and European waste regulations. Maintain proper documentation of disposal activities for regulatory compliance.
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 transport purposes. This classification requires appropriate packaging, labeling, and documentation according to ADR regulations. Use UN-approved packaging suitable for Class 9 substances and ensure proper hazard labels are affixed. Transport must comply with European transport regulations, and drivers require appropriate training for dangerous goods transportation.
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 standard EU chemical regulations including REACH registration and CLP classification requirements. The substance carries GHS07 and GHS09 pictograms with Warning signal word, indicating acute toxicity and environmental hazards. While not currently identified as a Substance of Very High Concern (SVHC), it requires compliance with standard chemical safety regulations, proper safety data sheets, and hazard communication throughout the supply chain.
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 reliable supply of high-quality chemical products with proper documentation, safety data sheets, and regulatory compliance support. As a professional chemical distributor, OYSI ensures appropriate packaging, transport compliance, and technical support for industrial customers across Europe requiring this specialized compound for their applications.
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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.