(5S)-1-Methyl-5-(3-pyridinyl)-2-pyrrolidinone

Basic Information

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CAS Number

486-56-6

Molecular Formula

C10H12N2O

Molecular Weight

176.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

40-42 °C

Boiling Point

250 °C150 mm Hg

Water Solubility

Not miscible or difficult to mix in water. Soluble in dimethyl sulfoxide (100 mM), ethanol (50 mg/ml, yielding a clear, faint yellow to yellow solution), methanol and chloroform.

Flash Point

>230 °F

Refractive Index

1.7110 (estimate)

SMILES

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CN1C(CCC1=O)C2=CN=CC=C2

InChI

InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3/t9-/m0/s1

InChIKey

UIKROCXWUNQSPJ-VIFPVBQESA-N

LogP

1.3749

Topological Polar Surface Area

33.2 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

205

Safety Information

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Stability

Stable. Incompatible with strong oxidizing agents. May be heat sensitive - store cold.

Synonyms & References

English

S(-)-1-Methyl-5-(3-pyridyl)-2-pyrrolidone
A827581
NICOTINE DITARTRATE DIHYDRATE IMPURITY C [EP IMPURITY]
5-24-02-00504 (Beilstein Handbook Reference)
NIH 10498
LP00285
cotinine
BPBio1_000006
COTININE [MI]
(-)-Cotinine, >=98%
NCGC00093739-13
(5S)-1-methyl-5-(3-pyridyl)pyrrolidin-2-one
KBio2_005109
BRN 0083099
Prestwick3_000082
HMS2051A15
NIH-10498
S-(-)-Cotinine
Tox21_500285
DTXCID9027576
CS-4787
bmse000577
(-)-Cotinine, analytical standard
(S)-(-)-Cotinine
K5161X06LL
CHEMBL578211
HY-B1178
CCG-100799
NCGC00093739-20
(S)-1-Methyl-5-(3-pyridyl)-2-pyrrolidinone
US8609708, 91 Cotinine

MDL Number

MFCD00077696

Customs Code

2933990090

FAQ

What is (5S)-1-Methyl-5-(3-pyridinyl)-2-pyrrolidinone (CAS: 486-56-6)?

(5S)-1-Methyl-5-(3-pyridinyl)-2-pyrrolidinone is a chiral compound with a molecular formula of C10H12N2O. It has a bitter taste and is used as an intermediate in the synthesis of pharmaceuticals and agrochemicals. The compound is also known for its potential as a chiral ligand in catalysis.

What are the main uses of (5S)-1-Methyl-5-(3-pyridinyl)-2-pyrrolidinone (CAS: 486-56-6)?

(5S)-1-Methyl-5-(3-pyridinyl)-2-pyrrolidinone is primarily used as a chiral auxiliary in the synthesis of pharmaceuticals and agrochemicals. It serves as a building block for the preparation of optically pure compounds, which are crucial in medicinal chemistry and drug development.

Is (5S)-1-Methyl-5-(3-pyridinyl)-2-pyrrolidinone (CAS: 486-56-6) safe?

(5S)-1-Methyl-5-(3-pyridinyl)-2-pyrrolidinone should be handled with care due to its potential toxicity. Proper protective measures include the use of personal protective equipment (PPE) such as gloves and goggles. Avoid contact with skin and eyes. Ensure proper ventilation during handling and disposal in accordance with local regulations.

How should (5S)-1-Methyl-5-(3-pyridinyl)-2-pyrrolidinone (CAS: 486-56-6) be stored?

(5S)-1-Methyl-5-(3-pyridinyl)-2-pyrrolidinone should be stored in a cool, dry place away from direct sunlight and sources of heat. Maintain a temperature below 25°C and store it in a tightly sealed container to prevent moisture absorption. Handle with care to avoid spillage and ensure proper labeling and storage to prevent contamination and degradation.