Ethyl quinuclidine-4-carboxylate

Basic Information

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CAS Number

22766-68-3

Molecular Formula

C10H17NO2

Molecular Weight

183.25 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

Boiling Point

233.4±40.0 ºC (760 Torr),

Flash Point

85.5±18.2 ºC,

SMILES

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CCOC(=O)C12CCN(CC1)CC2

InChI

InChI=1S/C10H17NO2/c1-2-13-9(12)10-3-6-11(7-4-10)8-5-10/h2-8H2,1H3

InChIKey

MMXIVBVOFFBDEB-UHFFFAOYSA-N

LogP

1.0354000000000003

Topological Polar Surface Area

29.540000000000003 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

193

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 quinuclidine-4-carboxylate
1-Azabicyclo[2.2.2]octane-4-carboxylic acid ethyl ester
ethyl 1-azabicyclo[2.2.2]octane-4-carboxylate
Ethyl 4-Quinuclidinecarboxylate
1-aza-bicyclo[2.2.2]octane-4-carboxylic acid ethyl ester
4-carbethoxyquinuclidine
4-Quinuclidinecarboxylic acid, ethyl ester
AC1LCBAT
AG-J-07773
Chinuclidin-4-carbonsaeure-aethylester
CTK0J6118
ethyl 1-aza-bicyclo[2.2.2]octane-4-carboxylate
ethyl-1-azabicyclo[2.2.2]octane-4-carboxylate
KB-64883
quin
SureCN3220818
1-Azabicyclo[2.2.2]octane-4-carboxylic acid, ethyl ester
MMXIVBVOFFBDEB-UHFFFAOYSA-N
4-(Ethoxycarbonyl)quinuclidine
EthylQuinuclidine-4-carboxylate
ethyl quinucli-dine-4-carboxylate
Ethyl quinuclidine-4-carbox
AKOS022183466
AMY30051
J67LZW838V
Ethyl quinuclidine-4-carboxylate #
1-Azabicyclo[2.2.2]octane-4-carboxylic acid ethyl ester; 4-Quinuclidinecarboxylic acid, ethyl ester (8CI); 4-(Ethoxycarbonyl)quinuclidine; Ethyl 1-azabicyclo[2.2.2]octane-4-carboxylate; Ethyl 4-quinuclidinecarboxylate
MFCD19686937
DS-17374
CS-M1578
SB17914

MDL Number

MFCD19686937

FAQ

What regulatory guidelines apply to Ethyl quinuclidine-4-carboxylate (CAS: 22766-68-3)?

Ethyl quinuclidine-4-carboxylate (CAS: 22766-68-3) falls under various regulatory guidelines such as GHS (Global Harmonized System of Classification and Labeling of Chemicals), REACH (Registration, Evaluation, Authorization, and Restriction of Chemicals) for EU manufacturers and importers, and FDA (Food and Drug Administration) and EPA (Environmental Protection Agency) regulations in the United States. Compliance with these guidelines is essential for safe handling, storage, and disposal.

Are there alternatives to Ethyl quinuclidine-4-carboxylate in synthesis (CAS: 22766-68-3)?

There are alternative reagents that can be used in the synthesis of Ethyl quinuclidine-4-carboxylate (CAS: 22766-68-3), such as other alkyl quinuclidine carboxylates or related compounds. These alternatives can vary depending on the specific application and desired properties of the final product.

What is the market or research trend for Ethyl quinuclidine-4-carboxylate (CAS: 22766-68-3)?

The market for Ethyl quinuclidine-4-carboxylate (CAS: 22766-68-3) is growing due to its use in various applications including pharmaceuticals, agrochemicals, and research. There is an increasing trend towards understanding its mechanisms of action and exploring new synthetic methods. Research is also focusing on its potential as a chiral auxilliary in organic synthesis and as a potential drug candidate.

How should waste containing Ethyl quinuclidine-4-carboxylate (CAS: 22766-68-3) be handled?

Waste containing Ethyl quinuclidine-4-carboxylate (CAS: 22766-68-3) should be handled according to local and international waste disposal regulations. This includes proper collection, storage, and incineration or professional waste disposal services. Environmental protection measures such as minimizing the release of the compound into the environment and using appropriate containment techniques are crucial. Always consult local environmental and occupational health and safety regulations for specific guidance.