2-Methyl-2-propanyl 3-(3-ethoxy-3-oxopropanoyl)-1-piperidinecarboxylate

Basic Information

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CAS Number

877173-80-3

Molecular Formula

C15H25NO5

Molecular Weight

299.37 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

386.1°C at 760 mmHg

Flash Point

187.3℃

SMILES

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O=C(N1CC(C(CC(OCC)=O)=O)CCC1)OC(C)(C)C

InChI

InChI=1S/C15H25NO5/c1-5-20-13(18)9-12(17)11-7-6-8-16(10-11)14(19)21-15(2,3)4/h11H,5-10H2,1-4H3

InChIKey

CDKCUTDILXXPHL-UHFFFAOYSA-N

LogP

2.1558

Topological Polar Surface Area

72.91 Å²

Hydrogen Bond Donor/Acceptor

0 / 6

Complexity

399

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

tert-Butyl 3-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylate
3-(2-Ethoxycarbonylacetyl)piperidine-1-carboxylic acid tert-butyl ester
1-Boc-3-(3-ethoxy-3-oxopropanoyl)piperidine
1-BOC-BETA-OXO-3-PIPERIDINEPROPANOIC ACID ETHYL ESTER
3-(2-ETHOXYCARBONYL-ACETYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
ETHYL 3-OXO-3-(1-BOC-3-PIPERIDYL)PROPANOATE
1-Boc-b-oxo-3-piperidinepropanoic acid ethyl ester
CIVENTICHEM CV-4401
TRA0070109
PB30799
AM807891
SY015849
AX8169985
ST24049779
173B803
tert-Butyl 3-(3-etho
tert-butyl 3-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylate
Ethyl 1-[(1,1-dimethylethoxy)carbonyl]-β-oxo-3-piperidinepropanoate (ACI)

MDL Number

MFCD04115571

Customs Code

2933399090

FAQ

What regulatory guidelines apply to 2-Methyl-2-propanyl 3-(3-ethoxy-3-oxopropanoyl)-1-piperidinecarboxylate (CAS: 877173-80-3)?

The compound 2-Methyl-2-propanyl 3-(3-ethoxy-3-oxopropanoyl)-1-piperidinecarboxylate (CAS: 877173-80-3) falls under various regulatory guidelines, including GHS classification, REACH regulations, and FDA/EPA requirements. It is important to follow these guidelines to ensure safe handling and use. GHS classification involves evaluating the physical, health, and environmental hazards associated with the compound, while REACH regulations focus on the registration, evaluation, authorization, and restriction of chemical substances. Additionally, FDA and EPA regulations may apply based on specific uses and applications of the compound.

Are there alternatives to 2-Methyl-2-proanylpiperidinecarboxylic acid ethyl ester (CAS: 877173-80-3) in synthesis?

In the synthesis of 2-Methyl-2-proanylpiperidinecarboxylic acid ethyl ester (CAS: 877173-80-3), there are a few alternatives that can be considered. These include using different starting materials, such as other piperidines or ethyl esters, or employing different synthetic routes. Common alternative reagents like carboxylic acids, esters, or amines can be utilized to achieve similar products. However, the choice of alternative reagents should be based on the specific requirements of the synthesis and the desired product characteristics.

What is the market or research trend for 2-Methyl-2-proanylpiperidinecarboxylic acid ethyl ester (CAS: 877173-80-3)?

The market and research trends for 2-Methyl-2-proanylpiperidinecarboxylic acid ethyl ester (CAS: 877173-80-3) are evolving as the demand for effective and versatile chemical intermediates increases in various industries. Recent market trends indicate growing interest in the compound for use in pharmaceuticals, agrochemicals, and fine chemicals due to its unique structural features. Research trends focus on developing new synthetic methods and exploring its applications in drug discovery, as well as its potential as a key intermediate in the synthesis of other valuable compounds.

How should waste containing 2-Methyl-2-proanylpiperidinecarboxylic acid ethyl ester (CAS: 877173-80-3) be handled?

Waste containing 2-Methyl-2-proanylpiperidinecarboxylic acid ethyl ester (CAS: 877173-80-3) should be handled with care to ensure environmental safety and regulatory compliance. Waste liquid collection should be performed in accordance with local and international regulations. Incineration or professional waste disposal services are recommended for safe disposal. Environmental protection precautions include ensuring proper containment during handling and storage to prevent leaks or spills. Additionally, waste management practices should comply with GHS guidelines and other relevant safety standards to minimize environmental impact.