Methyl 3-(4-chlorophenyl)-3-[[(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)butanoyl]amino]propanoate
C19H27ClN2O5
methyl 3-(4-chlorophenyl)-3-[[(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)butanoyl]amino]propanoate
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Identification
- CAS Number
- 283159-90-0
- UN Number
- 3077
- Index Number
- 607-762-00-9
- PubChem CID
- 11338509
Physical-chemical properties
- Molecular Formula
- C19H27ClN2O5
- Molar Mass
- 398.90 g/mol
- IUPAC Name
- methyl 3-(4-chlorophenyl)-3-[[(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)butanoyl]amino]propanoate
Chemical Identifiers
- InChI
- InChI=1S/C19H27ClN2O5/c1-11(2)17(22-19(25)27-12(3)4)18(24)21-15(10-16(23)26-5)13-6-8-14(20)9-7-13/h6-9,11-12,15,17H,10H2,1-5H3,(H,21,24)(H,22,25)/t15?,17-/m0/s1
- InChI Key
- DBXFMOWZRXXBRN-LWKPJOBUSA-N
Overview
Methyl 3-(4-chlorophenyl)-3-[[(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)butanoyl]amino]propanoate (CAS 283159-90-0) is a chlorinated aromatic compound with carcinogenic classification and aquatic toxicity properties. This complex organic molecule features a distinctive structure combining a chlorinated phenyl ring with protected amino acid derivatives, making it valuable for specialized chemical synthesis and research applications. With a molecular formula of C19H27ClN2O5 and molecular weight of 398.9 g/mol, this compound exhibits the structural characteristics typical of bioactive pharmaceutical intermediates or agrochemical precursors. The substance is classified under GHS hazard categories as Carcinogenic Category 2 and Aquatic Chronic Toxicity Category 2, requiring careful handling protocols and environmental considerations during industrial use. The Warning signal word and associated GHS08 (health hazard) and GHS09 (environmental hazard) pictograms indicate the need for appropriate personal protective equipment and controlled storage conditions. Transportation falls under ADR Class 9 (miscellaneous dangerous substances), reflecting its specialized handling requirements. Common industrial applications include use as a synthetic intermediate in pharmaceutical manufacturing, particularly for compounds requiring chiral amino acid building blocks, and as a precursor in specialty chemical synthesis. The compound's structural similarity to other chlorinated aromatic derivatives, such as 1-(2-chloro-4-pyridinyl)-3-phenylurea, positions it within the broader category of halogenated organic compounds used in advanced chemical manufacturing processes. The methyl ester functionality and isopropyl carbamate protection make this compound particularly suitable for multi-step organic synthesis where selective deprotection is required. Its applications may extend to research and development in medicinal chemistry and agrochemical development. OYSI maintains availability of this specialized chemical compound for qualified industrial customers requiring high-purity synthetic intermediates.
Safety & Classification
Carc. 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
Transport (ADR)
| UN Number | 3077 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | Valifenalat |
| Marine Pollutant | No |
Frequently Asked Questions
What is methyl 3-(4-chlorophenyl)-3-[[(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)butanoyl]amino]propanoate?
Methyl 3-(4-chlorophenyl)-3-[[(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)butanoyl]amino]propanoate is a synthetic organic compound with CAS number 283159-90-0. This chlorinated aromatic compound has a molecular formula of C19H27ClN2O5 and molecular weight of 398.9 g/mol. It contains a chlorophenyl group and complex amino acid derivatives, making it a specialized chemical intermediate used in pharmaceutical and research applications.
What are the physicochemical properties of methyl 3-(4-chlorophenyl)-3-[[(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)butanoyl]amino]propanoate?
Methyl 3-(4-chlorophenyl)-3-[[(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)butanoyl]amino]propanoate has a molecular weight of 398.9 g/mol and molecular formula C19H27ClN2O5. As a complex organic ester containing chlorine, it typically appears as a solid at room temperature. The compound contains both hydrophilic amino acid moieties and lipophilic aromatic components, affecting its solubility profile in various solvents.
What is methyl 3-(4-chlorophenyl)-3-[[(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)butanoyl]amino]propanoate used for?
Methyl 3-(4-chlorophenyl)-3-[[(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)butanoyl]amino]propanoate is primarily used as a chemical intermediate in pharmaceutical synthesis and research applications. Its complex structure containing protected amino acid derivatives makes it valuable for peptide chemistry and drug development. The compound serves as a building block for more complex molecules in medicinal chemistry research and pharmaceutical manufacturing processes.
How to safely handle methyl 3-(4-chlorophenyl)-3-[[(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)butanoyl]amino]propanoate?
Methyl 3-(4-chlorophenyl)-3-[[(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)butanoyl]amino]propanoate requires careful handling due to its Carc. 2 classification. Use appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and lab coats. Work in well-ventilated areas or under fume hoods to minimize exposure. Avoid skin contact, inhalation, and ingestion. Follow GHS08 warning pictogram requirements and implement proper hygiene measures after handling.
How to properly store methyl 3-(4-chlorophenyl)-3-[[(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)butanoyl]amino]propanoate?
Methyl 3-(4-chlorophenyl)-3-[[(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)butanoyl]amino]propanoate should be stored in tightly sealed containers in a cool, dry place away from direct sunlight. Keep containers properly labeled with hazard information including GHS08 and GHS09 pictograms. Store separately from incompatible materials and ensure adequate ventilation in storage areas. Maintain appropriate temperature conditions to prevent degradation and ensure container integrity.
What to do in case of contact with methyl 3-(4-chlorophenyl)-3-[[(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)butanoyl]amino]propanoate?
Immediate decontamination is essential upon contact with methyl 3-(4-chlorophenyl)-3-[[(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)butanoyl]amino]propanoate. For skin contact, rinse immediately with plenty of water for at least 15 minutes and remove contaminated clothing. In case of eye contact, flush thoroughly with water. If inhaled, move to fresh air immediately. For ingestion, do not induce vomiting and seek medical attention promptly due to the compound's carcinogenic classification.
How to properly dispose of methyl 3-(4-chlorophenyl)-3-[[(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)butanoyl]amino]propanoate?
Methyl 3-(4-chlorophenyl)-3-[[(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)butanoyl]amino]propanoate must be disposed of as hazardous waste according to local and national regulations. Due to its Carc. 2 classification and environmental hazard (Aquatic Chronic 2), it requires specialized disposal through authorized waste management facilities. Do not discharge into sewers or the environment. Consult local environmental authorities for specific disposal requirements and approved waste handlers.
How to transport methyl 3-(4-chlorophenyl)-3-[[(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)butanoyl]amino]propanoate?
Methyl 3-(4-chlorophenyl)-3-[[(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)butanoyl]amino]propanoate is classified as ADR Class 9 (Miscellaneous dangerous goods), Packing Group III. Transportation requires proper packaging according to ADR regulations, including appropriate labeling with hazard information and transport documentation. Use UN-approved packaging and ensure compliance with dangerous goods transport requirements. Professional carriers experienced in chemical transport should handle shipments following all applicable regulations.
Is methyl 3-(4-chlorophenyl)-3-[[(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)butanoyl]amino]propanoate subject to specific regulations?
Methyl 3-(4-chlorophenyl)-3-[[(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)butanoyl]amino]propanoate is subject to various European regulations including REACH and CLP. It is not currently classified as an SVHC substance. The compound must comply with CLP classification requirements for Carc. 2 and Aquatic Chronic 2 hazards, requiring proper labeling with GHS08 and GHS09 pictograms and 'Warning' signal word. ADR Class 9 transport regulations also apply.
Where to buy methyl 3-(4-chlorophenyl)-3-[[(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)butanoyl]amino]propanoate in Europe?
Methyl 3-(4-chlorophenyl)-3-[[(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)butanoyl]amino]propanoate is available through OYSI, a specialized European distributor of chemical products. OYSI provides professional chemical distribution services across Europe with expertise in handling specialized organic compounds. Contact OYSI directly for availability, technical specifications, and regulatory compliance documentation. Professional buyers should ensure proper authorization for handling this carcinogenic substance according to local workplace safety regulations.
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Methyl 3-(4-chlorophenyl)-3-[[(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)butanoyl]amino]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.