(2S,6R)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine
C20H33NO
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Identification
- CAS Number
- 67564-91-4
- EC Number
- 266-719-9
- UN Number
- 3082
- Index Number
- 613-124-00-0
- PubChem CID
- 93365
Physical-chemical properties
- Molecular Formula
- C20H33NO
- Molar Mass
- 303.50 g/mol
- IUPAC Name
- (2S,6R)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine
Chemical Identifiers
- InChI
- InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15?,16-,17+
- InChI Key
- RYAUSSKQMZRMAI-ALOPSCKCSA-N
Overview
(2S,6R)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine (CAS 67564-91-4) is a synthetic morpholine derivative with notable reproductive toxicity concerns and specific stereochemical configuration. This complex organic compound belongs to the morpholine family, characterized by its six-membered ring containing both nitrogen and oxygen atoms. The molecule features a distinctive tert-butylphenyl substituent and specific (2S,6R) stereochemistry, which contributes to its unique chemical and biological properties. With a molecular formula of C20H33NO and molecular weight of 303.5 g/mol, this substance represents a sophisticated example of modern synthetic chemistry. The compound is classified under multiple hazard categories, including reproductive toxicity category 2, acute toxicity category 4, skin irritation category 2, and aquatic chronic toxicity category 2. These classifications necessitate careful handling procedures and appropriate safety measures during storage, transport, and use. The presence of GHS pictograms GHS08, GHS07, and GHS09 indicates potential health hazards, immediate physical dangers, and environmental concerns respectively. As a Class 9 ADR substance, it requires special consideration during transportation. Industrial applications typically involve its use as an intermediate in pharmaceutical synthesis, particularly in the development of bioactive compounds where stereochemical precision is crucial. The compound may also serve as a research chemical in academic and industrial laboratories studying morpholine-based structures. Unlike simpler aromatic compounds such as 1,4-dichlorobenzene, this molecule's complex structure makes it valuable for specialized synthetic applications requiring specific molecular architecture. OYSI maintains availability of this technical-grade morpholine derivative for qualified industrial customers requiring high-purity specialty chemicals.
Safety & Classification
Repr. 2; Acute Tox. 4 *; Skin Irrit. 2; Aquatic Chronic 2
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
Skin Contact
Measures if substance contacts the skin
First Aid Actions
- +P302IF ON SKIN:
- +P352Wash with plenty of water.
- +P361Take off immediately all contaminated clothing.
- +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 | 3082 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | Fenpropimorph (ISO) |
| Marine Pollutant | No |
Frequently Asked Questions
What is (2S,6R)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine?
(2S,6R)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine is a synthetic organic compound with the molecular formula C20H33NO and a molecular weight of 303.5 g/mol. This morpholine derivative features a complex substitution pattern with tert-butylphenyl and methylpropyl groups. It is classified as CAS number 67564-91-4 and exhibits specific stereochemical configuration at positions 2S and 6R of the morpholine ring, making it a chiral compound with defined spatial arrangement of its substituents.
What are the physicochemical properties of (2S,6R)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine?
(2S,6R)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine is an organic compound with a molecular weight of 303.5 g/mol and formula C20H33NO. As a substituted morpholine derivative containing bulky aromatic and aliphatic substituents, it likely exists as a liquid or low-melting solid at room temperature. The presence of the morpholine nitrogen provides basic properties, while the extensive hydrocarbon substitution contributes to lipophilic characteristics. Specific physical properties such as melting point, boiling point, and solubility data should be confirmed through technical documentation.
What is (2S,6R)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine used for?
(2S,6R)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine is utilized as a chemical intermediate and specialty reagent in pharmaceutical and fine chemical synthesis. Its unique stereochemical configuration and functional groups make it valuable for research and development applications, particularly in the synthesis of biologically active compounds. The morpholine backbone and chiral centers suggest potential applications in drug discovery and as a building block for more complex molecular structures requiring specific spatial arrangements.
How to handle (2S,6R)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine safely?
(2S,6R)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine requires careful handling due to its classification as Acute Tox. 4, Skin Irrit. 2, and Repr. 2. Essential safety measures include wearing appropriate personal protective equipment such as chemical-resistant gloves, safety goggles, and protective clothing. Work in well-ventilated areas or under fume extraction to minimize inhalation exposure. Avoid skin and eye contact, and implement proper hygiene practices including thorough handwashing after handling.
How to store (2S,6R)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine correctly?
(2S,6R)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from heat sources and direct sunlight. Given its hazard classifications including reproductive toxicity and aquatic toxicity, storage areas must be secure and access-controlled. Containers should be clearly labeled with appropriate hazard warnings and stored separately from incompatible materials. Temperature-controlled storage may be required to maintain stability and prevent degradation of this sensitive compound.
What to do in case of contact with (2S,6R)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine?
Contact with (2S,6R)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine requires immediate first aid measures. For skin contact, immediately remove contaminated clothing and rinse the affected area with plenty of water for at least 15 minutes. In case of eye contact, flush thoroughly with water and seek medical attention. If inhaled, move the person to fresh air and monitor breathing. Given its acute toxicity classification, seek immediate medical attention for any significant exposure and provide the safety data sheet to medical personnel.
How to dispose of (2S,6R)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine appropriately?
(2S,6R)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine must be disposed of through licensed hazardous waste disposal services in accordance with local and national regulations. Due to its multiple hazard classifications including aquatic toxicity, it cannot be discharged to sewers or the environment. Waste containers should be properly labeled and segregated from other waste streams. Contact certified waste management companies for collection and treatment, ensuring full documentation of disposal chain of custody for regulatory compliance.
How to transport (2S,6R)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine?
(2S,6R)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine is classified under ADR Class 9 (Miscellaneous Dangerous Substances), Packing Group III for transport purposes. This classification requires appropriate packaging, labeling, and documentation for road transport within Europe. Packages must bear proper shipping names, UN numbers, and hazard labels. Transport vehicles should carry appropriate emergency response information, and drivers must have ADR certification. Proper segregation from incompatible materials during transport is essential for safety compliance.
Is (2S,6R)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine subject to specific regulations?
(2S,6R)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine is subject to European REACH and CLP regulations requiring registration and classification. While not currently listed as an SVHC (Substance of Very High Concern), its reproductive toxicity classification (Repr. 2) subjects it to specific labeling and safety data sheet requirements. Companies must comply with occupational exposure limits and implement risk management measures. Import, manufacture, and use may require regulatory notifications and safety assessments depending on quantities and applications.
Where to buy (2S,6R)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine in Europe?
(2S,6R)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine is available through OYSI, a specialized European distributor of technical chemicals and pharmaceutical intermediates. OYSI provides reliable supply chains for research institutions, pharmaceutical companies, and specialty chemical manufacturers across Europe. As a professional chemical distributor, OYSI ensures proper handling, documentation, and regulatory compliance for this controlled substance. Contact OYSI directly for availability, specifications, and regulatory documentation required for your specific application and location.
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ADR Consulting for (2S,6R)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine
(2S,6R)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine 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.