Methyl 2-[[(E)-3-(1,3-benzodioxol-5-yl)-2-methylprop-1-enyl]amino]benzoate

C19H19NO4

methyl 2-[[(E)-3-(1,3-benzodioxol-5-yl)-2-methylprop-1-enyl]amino]benzoate

CAS125778-19-0
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
125778-19-0
EC Number
424-430-7
UN Number
3077
Index Number
607-549-00-0
PubChem CID
44147575

Physical-chemical properties

Molecular Formula
C19H19NO4
Molar Mass
325.40 g/mol
IUPAC Name
methyl 2-[[(E)-3-(1,3-benzodioxol-5-yl)-2-methylprop-1-enyl]amino]benzoate

Chemical Identifiers

InChI
InChI=1S/C19H19NO4/c1-13(9-14-7-8-17-18(10-14)24-12-23-17)11-20-16-6-4-3-5-15(16)19(21)22-2/h3-8,10-11,20H,9,12H2,1-2H3/b13-11+
InChI Key
LUXWNKRPTQDZRB-ACCUITESSA-N

Overview

Methyl 2-[[(E)-3-(1,3-benzodioxol-5-yl)-2-methylprop-1-enyl]amino]benzoate (CAS 125778-19-0) is an organic compound featuring a benzodioxole moiety with notable environmental impact concerns. This specialized chemical compound belongs to the family of substituted benzoate esters, characterized by its complex molecular structure containing both aromatic and heterocyclic components. With a molecular formula of C19H19NO4 and molecular weight of 325.4 g/mol, this substance exhibits unique properties derived from its benzodioxole ring system combined with an aminobenzoate framework. The compound's structural complexity, featuring an E-configured double bond and methylated propenyl chain, contributes to its specific chemical behavior and applications. The substance is classified under European regulation EC 424-430-7 and requires careful handling due to its environmental hazard profile. Classified as Aquatic Acute 1 and Aquatic Chronic 1, it presents significant risks to aquatic ecosystems both immediately and over extended periods. The GHS09 pictogram and "Warning" signal word indicate its environmental hazard classification, while its ADR Class 9 designation categorizes it as a miscellaneous dangerous substance for transport purposes. From a safety perspective, this compound demands appropriate containment measures to prevent environmental release, particularly to water systems. Its hazard profile differs significantly from structurally unrelated compounds such as copper(1+) thiocyanate, which presents different risk categories despite sharing some industrial application areas. Common industrial applications include use as a chemical intermediate in pharmaceutical synthesis, specialty chemical manufacturing, and research applications requiring specific benzodioxole-containing structures. The compound may also serve in materials science applications where its unique aromatic system provides desired properties. OYSI maintains reliable supply chains for this specialized chemical compound, ensuring consistent availability for European industrial customers requiring high-quality technical grade materials.

Safety & Classification

Warning
Classification:

Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

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 NameMethyl-trans-2-((3-(1,3-benzodioxol-5-yl)-2-methyl-1-propenyl)amino)benzoat
Marine PollutantNo

Frequently Asked Questions

What is methyl 2-[[(E)-3-(1,3-benzodioxol-5-yl)-2-methylprop-1-enyl]amino]benzoate?

Methyl 2-[[(E)-3-(1,3-benzodioxol-5-yl)-2-methylprop-1-enyl]amino]benzoate is an organic chemical compound with CAS number 125778-19-0 and molecular formula C19H19NO4. This substance has a molecular weight of 325.4 g/mol and contains a benzodioxole ring system linked to a benzoate ester through an amino bridge. It belongs to the class of aromatic compounds with complex structural features including methylenedioxyphenyl and aminobenzoate moieties.

What are the physicochemical properties of methyl 2-[[(E)-3-(1,3-benzodioxol-5-yl)-2-methylprop-1-enyl]amino]benzoate?

Methyl 2-[[(E)-3-(1,3-benzodioxol-5-yl)-2-methylprop-1-enyl]amino]benzoate is a solid organic compound with a molecular weight of 325.4 g/mol. The substance contains aromatic rings and ester functionality, which typically confer moderate to low water solubility. As an aromatic ester compound, it likely exhibits stability under normal conditions but may be sensitive to strong bases or acids that could hydrolyze the ester bond.

What is methyl 2-[[(E)-3-(1,3-benzodioxol-5-yl)-2-methylprop-1-enyl]amino]benzoate used for?

Methyl 2-[[(E)-3-(1,3-benzodioxol-5-yl)-2-methylprop-1-enyl]amino]benzoate is primarily used in research and development applications within the pharmaceutical and chemical industries. Its complex aromatic structure makes it valuable as an intermediate in organic synthesis, particularly for developing compounds with potential biological activity. The compound may also serve as a building block for creating more complex molecules in medicinal chemistry research and specialized chemical manufacturing processes.

How to handle methyl 2-[[(E)-3-(1,3-benzodioxol-5-yl)-2-methylprop-1-enyl]amino]benzoate safely?

Methyl 2-[[(E)-3-(1,3-benzodioxol-5-yl)-2-methylprop-1-enyl]amino]benzoate requires standard laboratory safety precautions during handling. Wear appropriate personal protective equipment including safety glasses, gloves, and laboratory coats. Work in well-ventilated areas or under fume hoods to avoid inhalation. Given its aquatic toxicity classification, prevent environmental release and avoid contact with water systems. Use non-sparking tools and avoid heat sources if working with large quantities.

How to store methyl 2-[[(E)-3-(1,3-benzodioxol-5-yl)-2-methylprop-1-enyl]amino]benzoate correctly?

Methyl 2-[[(E)-3-(1,3-benzodioxol-5-yl)-2-methylprop-1-enyl]amino]benzoate should be stored in a cool, dry, well-ventilated area away from direct sunlight and heat sources. Keep containers tightly sealed to prevent moisture absorption and contamination. Store away from strong oxidizing agents, strong acids, and strong bases that could react with the compound. Ensure storage areas have appropriate containment measures to prevent environmental release due to its aquatic toxicity classification.

What to do in case of contact with methyl 2-[[(E)-3-(1,3-benzodioxol-5-yl)-2-methylprop-1-enyl]amino]benzoate?

Immediate action is required in case of contact with methyl 2-[[(E)-3-(1,3-benzodioxol-5-yl)-2-methylprop-1-enyl]amino]benzoate. For skin contact, wash immediately with plenty of water and soap. In case of eye contact, rinse thoroughly with water for at least 15 minutes and seek medical attention. If inhaled, move to fresh air immediately. If ingested, do not induce vomiting and seek immediate medical attention. Remove contaminated clothing and wash before reuse.

How to dispose of methyl 2-[[(E)-3-(1,3-benzodioxol-5-yl)-2-methylprop-1-enyl]amino]benzoate appropriately?

Methyl 2-[[(E)-3-(1,3-benzodioxol-5-yl)-2-methylprop-1-enyl]amino]benzoate must be disposed of as hazardous waste due to its aquatic toxicity classification. Contact licensed waste disposal companies specialized in chemical waste management. Never dispose of this substance in regular trash, sewers, or water systems. Follow local and national environmental regulations for hazardous waste disposal. Incineration at approved facilities may be appropriate, but consult with waste management professionals for specific guidance.

How to transport methyl 2-[[(E)-3-(1,3-benzodioxol-5-yl)-2-methylprop-1-enyl]amino]benzoate?

Methyl 2-[[(E)-3-(1,3-benzodioxol-5-yl)-2-methylprop-1-enyl]amino]benzoate is classified as ADR Class 9 (Miscellaneous dangerous goods), Packing Group III for transportation. This classification requires appropriate packaging, labeling, and documentation according to ADR regulations. Use UN-approved packaging and ensure proper hazard labels are displayed. Transport documents must include the correct shipping name, UN number, and hazard class. Follow all applicable international shipping regulations for dangerous goods.

Is methyl 2-[[(E)-3-(1,3-benzodioxol-5-yl)-2-methylprop-1-enyl]amino]benzoate subject to specific regulations?

Methyl 2-[[(E)-3-(1,3-benzodioxol-5-yl)-2-methylprop-1-enyl]amino]benzoate is subject to standard chemical regulations including REACH registration requirements in Europe and CLP classification as aquatic toxicity hazard class 1. While not currently listed as a Substance of Very High Concern (SVHC), it requires proper hazard communication with GHS09 pictogram and warning signal word. Users must comply with environmental protection measures due to its acute and chronic aquatic toxicity classification.

Where to buy methyl 2-[[(E)-3-(1,3-benzodioxol-5-yl)-2-methylprop-1-enyl]amino]benzoate in Europe?

Methyl 2-[[(E)-3-(1,3-benzodioxol-5-yl)-2-methylprop-1-enyl]amino]benzoate is available through OYSI, a specialized European distributor of chemical products. OYSI provides this compound to research institutions, pharmaceutical companies, and chemical manufacturers across Europe. As a professional chemical distributor, OYSI ensures proper documentation, packaging, and regulatory compliance for all shipments. Contact OYSI directly for availability, technical specifications, and pricing information for your specific application requirements.

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Methyl 2-[[(E)-3-(1,3-benzodioxol-5-yl)-2-methylprop-1-enyl]amino]benzoate 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.