Ethyl (1R,2R)-2-cyanocyclopropanecarboxylate

Basic Information

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CAS Number

3999-56-2

Molecular Formula

C7H9NO2

Molecular Weight

128.17 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 Nitriles

Basic Physical Properties

SMILES

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CCOC(=O)[C@@H]1C[C@H]1C#N |&1:5,7,r|

InChI

InChI=1S/C7H9NO2/c1-2-10-7(9)6-3-5(6)4-8/h5-6H,2-3H2,1H3/t5-,6+/m0/s1

InChIKey

ABSAAQSCUQHJOC-NTSWFWBYSA-N

LogP

1.2055

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

191

Synonyms & References

English

Cyclopropanecarboxylic acid, 2-cyano-, ethyl ester, (1R,2R)-rel-
ethyl (Z)-2-cyanocyclopropanecarboxylate
trans-ethyl (1R,2R)-2-cyanocyclopropane-1-carboxylate
(1R,2R)-rel-Ethyl 2-cyanocyclopropanecarboxylate
ethyl (1R,2R)-2-cyanocyclopropane-1-carboxylate
Ethyl trans-2-cyanocyclopropane-1-carboxylate
cis-ethyl(1R,2S)-2-cyanocyclopropane-1-carboxylate
P16387
ethyl(1R,2R)-2-cyanocyclopropane-1-carboxylate
A873512
trans-racemic ethyl 2-cyanocyclopropane-1-carboxylate
trans-ethyl(1R,2R)-2-cyanocyclopropane-1
ethyl trans-2-cyanocyclopropane-1-carboxylate

MDL Number

MFCD29037488

FAQ

What regulatory guidelines apply to Ethyl (1R,2R)-2-cyanocyclopropanecarboxylate (CAS: 3999-56-2)?

Ethyl (1R,2R)-2-cyanocyclopropanecarboxylate (CAS: 3999-56-2) falls under various regulatory guidelines such as GHS for classification and labeling, REACH for registration, evaluation, authorization, and restriction of chemicals, and FDA/EPA regulations for safety and environmental impact. Proper documentation and compliance with these guidelines are essential.

Are there alternatives to Ethyl (1R,2R)-2-cyanocyclopropanecarboxylate (CAS: 3999-56-2) in synthesis?

In synthesis, alternatives to Ethyl (1R,2R)-2-cyanocyclopropanecarboxylate (CAS: 3999-56-2) include other cyanocyclopropanecarboxylates or related functional groups such as acetyl or propionyl derivatives. These alternatives can offer similar reactivity with different substituents, providing flexibility in synthetic routes.

What is the market or research trend for Ethyl (1R,2R)-2-cyanocyclopropanecarboxylate (CAS: 3999-56-2)?

The market for Ethyl (1R,2R)-2-cyanocyclopropanecarboxylate (CAS: 3999-56-2) is evolving with increasing research focus on its use in pharmaceuticals and agrochemicals. Emerging trends include its application in developing new drugs and biocides, driven by its unique chemical properties. Price trends are influenced by supply chain dynamics and demand in these industries.

How should waste containing Ethyl (1R,2R)-2-cyanocyclopropanecarboxylate (CAS: 3999-56-2) be handled?

Waste containing Ethyl (1R,2R)-2-cyanocyclopropanecarboxylate (CAS: 3999-56-2) should be handled in accordance with regulatory guidelines. Collection should be done using appropriate containers, followed by neutralization if necessary. Incineration or professional waste disposal services are recommended to ensure safe disposal. Environmental protection measures and precautions must be strictly followed to prevent contamination.