3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one

C21H22ClNO4

CAS110488-70-5
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
110488-70-5
EC Number
404-200-2
UN Number
3077
Index Number
613-102-00-0
PubChem CID
86298

Physical-chemical properties

Molecular Formula
C21H22ClNO4
Molar Mass
387.90 g/mol
IUPAC Name
3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one

Chemical Identifiers

InChI
InChI=1S/C21H22ClNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3
InChI Key
QNBTYORWCCMPQP-UHFFFAOYSA-N

Overview

3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one (CAS 110488-70-5) is a synthetic organic compound featuring a morpholine-substituted enone structure with chlorophenyl and dimethoxyphenyl substituents. This complex organic molecule belongs to the class of substituted chalcone derivatives, characterized by its distinctive α,β-unsaturated ketone backbone linked to a morpholine ring system. The compound incorporates both electron-withdrawing chloro and electron-donating methoxy functional groups, creating unique electronic properties that influence its chemical behavior and biological activity. With a molecular formula of C21H22ClNO4 and molecular weight of 387.9 g/mol, this substance exhibits significant structural complexity that makes it valuable for specialized industrial applications. The compound is classified under European regulations with hazard class Repr. 1B (reproductive toxicity) and Aquatic Chronic 2 (chronic aquatic toxicity), requiring careful handling protocols. Safety measures must address both human health risks, particularly reproductive hazards, and environmental protection concerns. The GHS08 and GHS09 pictograms indicate serious health hazards and environmental dangers, while the "Danger" signal word emphasizes the need for stringent safety procedures during handling, storage, and transportation. As an ADR Class 9 material, it requires specialized shipping considerations for hazardous substances. Industrial applications typically include use as an intermediate in pharmaceutical synthesis, specialty chemical manufacturing, and advanced materials research. The morpholine moiety and aromatic substitution pattern make it particularly valuable in medicinal chemistry applications, where it may serve as a building block for more complex therapeutic compounds. Unlike simpler aromatic compounds such as 4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline, this molecule's multifunctional structure enables diverse synthetic transformations. OYSI maintains reliable supply chains for this specialized compound, supporting European chemical manufacturers and research institutions with consistent availability and regulatory compliance.

Safety & Classification

Danger
Classification:

Repr. 1B; Aquatic Chronic 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H411

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 NameDimethomorph (ISO)
Marine PollutantNo

Frequently Asked Questions

What is 3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one?

3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one is an organic chemical compound with the molecular formula C21H22ClNO4 and CAS number 110488-70-5. This complex molecule has a molecular weight of 387.9 g/mol and contains chlorophenyl, dimethoxyphenyl, and morpholine functional groups. It is classified as a reproductive toxicant category 1B and presents chronic aquatic toxicity, requiring careful handling and specialized knowledge for safe use in industrial applications.

What are the physicochemical properties of 3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one?

3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one is a solid organic compound with a molecular weight of 387.9 g/mol. The molecule contains multiple aromatic rings with chlorine and methoxy substituents, along with a morpholine ring and an enone functional group. Its complex structure suggests limited water solubility but good solubility in organic solvents. Specific physical properties such as melting point, boiling point, and exact solubility data require consultation of detailed technical specifications.

What is 3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one used for?

3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one is used as a specialized chemical intermediate in pharmaceutical research and fine chemical synthesis. Its complex molecular structure containing multiple functional groups makes it valuable for advanced organic synthesis applications. Due to its reproductive toxicity classification, its use is restricted to professional industrial settings with appropriate safety measures and qualified personnel trained in handling hazardous materials.

How to handle 3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one safely?

3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one requires strict safety protocols due to its Repr. 1B classification. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and protective clothing. Work must be conducted in well-ventilated areas or under fume hoods to prevent inhalation exposure. Avoid direct skin contact and ingestion. Only trained personnel should handle this substance, and emergency procedures must be readily available. Regular health monitoring may be required for workers exposed to this reproductive toxicant.

How to store 3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one correctly?

3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one must be stored in a cool, dry, well-ventilated area away from direct sunlight and heat sources. Use tightly sealed containers made of compatible materials to prevent contamination and moisture ingress. Storage areas should be restricted to authorized personnel only due to the reproductive toxicity hazard. Maintain segregation from incompatible materials and ensure proper labeling with GHS08 and GHS09 pictograms. Implement appropriate spill containment measures and maintain inventory records for regulatory compliance.

What to do in case of contact with 3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one?

Immediate action is required upon contact with 3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one. For skin contact, remove contaminated clothing and wash affected area thoroughly with soap and water for at least 15 minutes. If eye contact occurs, flush immediately with clean water for 15-20 minutes. In case of inhalation, move to fresh air immediately. For ingestion, do not induce vomiting and seek immediate medical attention. Always consult a physician and provide the safety data sheet due to the reproductive toxicity concerns.

How to dispose of 3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one properly?

3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one must be disposed of as hazardous waste through licensed waste management companies. Due to its reproductive toxicity (Repr. 1B) and aquatic toxicity classifications, it cannot be disposed of in regular waste streams or sewage systems. Collect waste in appropriate containers, clearly labeled with contents and hazard information. Disposal must comply with local, national, and EU waste regulations including the Waste Framework Directive. Consider incineration at authorized high-temperature facilities as the preferred disposal method.

How to transport 3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one?

3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one is classified as ADR Class 9 (Miscellaneous dangerous goods), Packing Group III for transport purposes. This classification requires appropriate packaging, labeling, and documentation according to ADR regulations. Transport containers must be properly sealed and labeled with correct UN numbers and hazard markings. Drivers must have appropriate dangerous goods training and carry necessary transport documents. Emergency response information must be readily available during transport to ensure proper handling in case of incidents.

Is 3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one subject to special regulations?

3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one is subject to multiple regulatory frameworks including REACH registration requirements and CLP classification obligations. Its Repr. 1B classification means it falls under reproductive toxicity regulations with potential restrictions on use and mandatory risk assessments. While not currently listed as an SVHC, its hazard profile requires compliance with occupational health regulations and environmental protection measures. Companies must maintain safety data sheets, implement exposure controls, and ensure proper worker training and health surveillance programs.

Where to buy 3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one in Europe?

3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one is available through OYSI, a specialized European distributor of technical chemicals and fine chemicals. OYSI provides this compound to qualified industrial customers with appropriate handling capabilities and regulatory compliance frameworks. Due to the reproductive toxicity classification, procurement requires proper documentation of intended use, safety protocols, and qualified personnel. Contact OYSI's technical team for availability, specifications, and regulatory support to ensure compliant handling and use of this specialized chemical compound.

Services for 3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one

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3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one 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.