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

CAS283159-90-0
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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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 complex organic compound featuring a chlorophenyl group and protected amino acid functionality with specific stereochemical configuration. This sophisticated molecular structure combines several important chemical functionalities, including an ester group, an amide linkage, and a chlorinated aromatic ring system. With a molecular formula of C19H27ClN2O5 and molecular weight of 398.9 g/mol, this compound represents a carefully designed synthetic intermediate commonly employed in pharmaceutical and fine chemical applications. The presence of the (2S)-configured amino acid derivative suggests its potential role in the synthesis of biologically active compounds where stereochemistry is crucial for activity. The compound exhibits significant safety considerations, classified under GHS categories as Carcinogenic Category 2 and Aquatic Chronic Toxicity Category 2, requiring appropriate handling protocols and protective equipment. The warning signal word and associated pictograms GHS08 and GHS09 indicate both health and environmental hazards that must be carefully managed during storage, handling, and transportation under ADR Class 9 regulations. Industrial applications typically include use as a pharmaceutical intermediate in the synthesis of complex drug molecules, particularly those requiring protected amino acid building blocks. The compound also finds application in specialty chemical synthesis where the chlorophenyl moiety serves as a key structural element, similar to related compounds such as 1-(2-chloro-4-pyridinyl)-3-phenylurea in specialized synthetic pathways. Additionally, it may be utilized in research and development activities focused on peptide chemistry and medicinal chemistry programs. OYSI maintains reliable supply chains for this specialized intermediate, ensuring consistent availability for European industrial and research applications.

Safety & Classification

Warning
Classification:

Carc. 2; Aquatic Chronic 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H351

Suspected of causing cancer.

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 NameValifenalat
Marine PollutantNo

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 complex organic compound with CAS number 283159-90-0 and molecular formula C19H27ClN2O5. This chemical substance has a molecular weight of 398.9 g/mol and contains a chlorinated phenyl group combined with amino acid-derived moieties. It is classified as a Category 2 carcinogen and presents chronic aquatic toxicity, requiring careful handling and appropriate safety measures in professional 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 is an organic compound with molecular formula C19H27ClN2O5 and molecular weight 398.9 g/mol. As a methyl ester containing aromatic and aliphatic components, it likely exists as a solid or viscous liquid at room temperature. The presence of the chlorophenyl group and multiple functional groups suggests moderate polarity and potential solubility in organic solvents rather than water.

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 in pharmaceutical research and development applications. Given its complex structure containing amino acid derivatives and aromatic components, it likely serves as an intermediate in drug synthesis or as a research compound for biological studies. The compound may also be utilized in specialized chemical synthesis processes within the pharmaceutical industry, requiring strict handling protocols due to its carcinogenic classification.

How to handle methyl 3-(4-chlorophenyl)-3-[[(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)butanoyl]amino]propanoate safely?

Methyl 3-(4-chlorophenyl)-3-[[(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)butanoyl]amino]propanoate requires strict safety precautions due to its Category 2 carcinogenic classification. Essential protective equipment includes chemical-resistant gloves, safety goggles, and laboratory coats. Work should be conducted in well-ventilated areas or under fume hoods to prevent inhalation. Avoid skin contact and ingestion, and implement proper containment measures to prevent environmental release due to its aquatic toxicity classification.

How to store methyl 3-(4-chlorophenyl)-3-[[(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)butanoyl]amino]propanoate correctly?

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, well-ventilated area away from heat sources and direct sunlight. Due to its carcinogenic properties, storage must be in designated areas with restricted access and appropriate warning labels. The storage area should be equipped with spill containment measures and kept separate from incompatible materials to prevent accidental reactions or environmental contamination.

What to do in case of contact with methyl 3-(4-chlorophenyl)-3-[[(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)butanoyl]amino]propanoate?

Immediate action is required upon contact with methyl 3-(4-chlorophenyl)-3-[[(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)butanoyl]amino]propanoate due to its carcinogenic nature. For skin contact, remove contaminated clothing and rinse affected area with plenty of water for at least 15 minutes. If inhaled, move to fresh air immediately. In case of eye contact, flush thoroughly with water. Seek immediate medical attention in all exposure cases and provide the safety data sheet to medical personnel.

How to dispose of methyl 3-(4-chlorophenyl)-3-[[(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)butanoyl]amino]propanoate appropriately?

Methyl 3-(4-chlorophenyl)-3-[[(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)butanoyl]amino]propanoate must be disposed of as hazardous waste due to its carcinogenic and aquatic toxicity properties. Disposal should only be conducted through licensed hazardous waste contractors following local and national regulations. The substance cannot be disposed of in regular waste streams or sewage systems. Collection in appropriate containers with proper labeling is mandatory, and all disposal activities must comply with European waste management directives and local environmental protection requirements.

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 Substances), Packing Group III for transportation purposes. Transportation requires appropriate packaging according to ADR regulations, with proper labeling including GHS08 and GHS09 pictograms and 'Warning' signal word. Shipping documentation must include the correct technical name and hazard classifications, and carriers must be qualified to handle Class 9 dangerous goods with appropriate emergency response procedures.

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 European CLP regulation due to its classification as Category 2 carcinogen and aquatic chronic toxicity. While not currently listed as a SVHC under REACH, it requires safety data sheets and appropriate risk management measures. The compound must be labeled with GHS08 and GHS09 pictograms and 'Warning' signal word, and its use may be restricted in consumer applications due to carcinogenic properties.

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 technical chemicals. OYSI provides this compound to qualified industrial and research customers with appropriate handling capabilities and regulatory compliance. Due to its carcinogenic classification, purchase requires verification of end-use applications and proper safety management systems. Professional customers can contact OYSI directly for availability, specifications, and regulatory documentation required for safe handling and use.

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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.

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Data Sources

Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.