Ethyl 3-oxo-4-piperidinecarboxylate hydrochloride (1:1)

Basic Information

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CAS Number

72738-09-1

Molecular Formula

C8H14ClNO3

Molecular Weight

207.66 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

Basic Physical Properties

Melting Point

200-202 ºC (methanol ethyl acetate )

Boiling Point

268.5℃/760mmHg

Flash Point

116.2℃

SMILES

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CCOC(=O)C1CCNCC1=O.Cl

InChI

InChI=1S/C8H13NO3.ClH/c1-2-12-8(11)6-3-4-9-5-7(6)10;/h6,9H,2-5H2,1H3;1H

InChIKey

VMVUBCKFICINHZ-UHFFFAOYSA-N

LogP

0.14989999999999976

Topological Polar Surface Area

55.4 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

191

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

ethyl 3-oxopiperidine-4-carboxylate;hydrochloride
XCA73809
EINECS 276-806-3
SB41042
ethyl3-oxopiperidine-4-carboxylatehydrochloride
MFCD12828687
72738-09-1
DTXSID10993550
AS-18047
4-Piperidinecarboxylic acid, 3-oxo-, ethyl ester, hydrochloride
FT-0696669
AC-24283
SY006124
4-(ethoxycarbonyl)-3-oxopiperidinium chloride
Ethyl 3-oxopiperidine-4-carboxylate HCl
AMY20486
AKOS015897946
VMVUBCKFICINHZ-UHFFFAOYSA-N
EN300-325751
Ethyl 3-oxopiperidine-4-carboxylate--hydrogen chloride (1/1)
A866213
CS-W022675
Ethyl 3-oxo-4-piperidinecarboxylate hydrochloride
NS00062060
SCHEMBL2302998
Ethyl 3-oxopiperidine-4-carboxylate hydrochloride
Ethyl 3-oxopiperidine-4-carboxylate, HCl
3-oxo-4-Piperidinecarboxylic acid ethyl ester hydrochloride
4-Piperidinecarboxylicacid, 3-oxo-, ethyl ester, hydrochloride (1:1)
4-(Ethoxycarbonyl)-3-oxopiperidinium chloride
Ethyl,4-piperidone-3-carboxylate hydrochloride

MDL Number

MFCD12828687

Customs Code

2933399090

FAQ

What is Ethyl 3-oxo-4-piperidinecarboxylate hydrochloride (CAS: 72738-09-1)?

Ethyl 3-oxo-4-piperidinecarboxylate hydrochloride (CAS: 72738-09-1) is a salt formed by the combination of ethyl 3-oxo-4-piperidinecarboxylate with hydrochloric acid. It is a white crystalline solid with a characteristic odor. This compound is commonly used in pharmaceuticals and chemical research due to its unique structural properties.

What are the main uses of Ethyl 3-oxo-4-piperidinecarboxylate hydrochloride (CAS: 72738-09-1)?

Ethyl 3-oxo-4-piperidinecarboxylate hydrochloride is primarily used in the pharmaceutical industry as an intermediate in the synthesis of other drugs. It is also employed in chemical research for its structural complexity and potential applications in various fields.

Is Ethyl 3-oxo-4-piperidinecarboxylate hydrochloride (CAS: 72738-09-1) safe?

Ethyl 3-oxo-4-piperidinecarboxylate hydrochloride (CAS: 72738-09-1) is generally considered safe when handled properly. However, it is important to follow all safety guidelines and use appropriate protective equipment. Direct contact with skin or ingestion should be avoided, and it should be stored in a cool, dry place away from heat sources.

How should Ethyl 3-oxo-4-piperidinecarboxylate hydrochloride (CAS: 72738-09-1) be stored?

Ethyl 3-oxo-4-piperidinecarboxylate hydrochloride (CAS: 72738-09-1) should be stored in a tightly sealed container at room temperature, away from direct sunlight and heat sources. The storage area should be well-ventilated to prevent the accumulation of vapor. It is recommended to store this compound in a cool, dry place to maintain its stability and integrity.