Ethyl 3-bromo-4-oxo-1-piperidinecarboxylate

Basic Information

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CAS Number

95629-02-0

Molecular Formula

C8H12BrNO3

Molecular Weight

250.09 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 Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Physical State

Pale-yellow to Yellow-brown Liquid

Boiling Point

320.2°Cat760mmHg

Density

1.539

Flash Point

147.4°C

Refractive Index

1.529

SMILES

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CCOC(=O)N1CCC(=O)C(C1)Br

InChI

InChI=1S/C8H12BrNO3/c1-2-13-8(12)10-4-3-7(11)6(9)5-10/h6H,2-5H2,1H3

InChIKey

DVJZXYGZKFZHQX-UHFFFAOYSA-N

LogP

1.1811999999999998

Topological Polar Surface Area

46.61 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

219

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Synonyms & References

English

AKOS015897837
Ethyl 3-bromo-4-oxo-piperidine-1-carboxylate
1-PIPERIDINECARBOXYLIC ACID, 3-BROMO-4-OXO-, ETHYL ESTER
SCHEMBL160444
AB29360
ethyl 3-bromo-4-oxopiperidine-1-carboxylate
DS-13082
A845354
3-bromo-4-oxo-piperidine-1-carboxylic acid ethyl ester
DVJZXYGZKFZHQX-UHFFFAOYSA-N
1-carbethoxy-3-bromo-4-piperidone
ETHYL3-BROMO-4-OXO-PIPERIDINE-1-CARBOXYLATE
95629-02-0
DTXSID70549830
Ethyl3-bromo-4-oxopiperidine-1-carboxylate
FT-0647357
3-bromo-4-oxo-1-ethoxycarbonyl-piperidine
3-bromo-2-ethyl-4-oxo-piperidine-1-carboxylate
C8H12BrNO3
MFCD06796218
3-BROMO-4-OXO-1-PIPERIDINECARBOXYLIC ACID ETHYL ESTER
ethyl 3-bromo-4-oxo-1-piperidinecarboxylate
CS-0172362
1carbethoxy-3-bromo-4-piperidone
1-PIPERIDINECARBOXYLIC ACID,3-BROMO-4-OXO-,ETHYL ESTER
3-bromo-1-ethoxycarbonyl-4-piperidone
3-bromo-4-oxo-1-piperidinecarboxylic acid ethyl ester
ethyl 3-bromo-4-oxo-piperidine-1-carboxylate

MDL Number

MFCD06796218

Customs Code

2933399090

FAQ

What regulatory guidelines apply to Ethyl 3-bromo-4-oxo-1-piperidinecarboxylate (CAS: 95629-02-0)?

Ethyl 3-bromo-4-oxo-1-piperidinecarboxylate (CAS: 95629-02-0) is subject to the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), REACH regulations for European chemicals, and FDA/EPA requirements for safety and environmental protection. Manufacturers and importers must comply with REACH registration, classification, and labeling rules. In the US, it is regulated by the EPA for environmental and safety purposes.

Are there alternatives to Ethyl 3-bromo-4-oxo-1-piperidinecarboxylate in synthesis?

There are several alternatives to Ethyl 3-bromo-4-oxo-1-piperidinecarboxylate in synthesis, including related piperidine derivatives and bromo-oxime compounds. Common reagents such as ethyl 3-chloro-4-oxo-1-piperidinecarboxylate or ethyl 3-iodo-4-oxo-1-piperidinecarboxylate can be used as substitutes, depending on the specific application and desired chemical properties.

What is the market or research trend for Ethyl 3-bromo-4-oxo-1-piperidinecarboxylate (CAS: 95629-02-0)?

The market for Ethyl 3-bromo-4-oxo-1-piperidinecarboxylate (CAS: 95629-02-0) is currently stable, with increasing research interest in its applications as a starting material for the synthesis of various bioactive compounds. Recent studies focus on its potential in drug discovery and as a precursor in organic synthesis. However, due to its reactivity, there is a growing trend towards the development of safer and more sustainable alternatives.

How should waste containing Ethyl 3-bromo-4-oxo-1-piperidinecarboxylate (CAS: 95629-02-0) be handled?

Waste containing Ethyl 3-bromo-4-oxo-1-piperidinecarboxylate (CAS: 95629-02-0) should be collected and stored in a sealed container to prevent environmental contamination. Proper waste disposal methods include incineration or professional chemical waste treatment facilities. Environmental precautions include ensuring no direct contact with water sources and following local hazardous waste regulations for disposal to minimize ecological impact.