(2S)-2-(3-Pyridinyl)pyrrolidinium

Basic Information

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CAS Number

5746-86-1

Molecular Formula

C9H13N2

Molecular Weight

148.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Physical State

Yellow to Brown Liquid

Boiling Point

107-108°C at 760 mmHg

Water Solubility

Soluble in acetone, chloroform and water (50mg/ml).

Flash Point

101℃(213℉)(lit.)

Solubility

H2O: 50 mg/mL

Refractive Index

1.54

SMILES

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C1CC(NC1)C2=CN=CC=C2

InChI

InChI=1S/C9H12N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7,9,11H,2,4,6H2/p+1/t9-/m0/s1

InChIKey

MYKUKUCHPMASKF-VIFPVBQESA-O

LogP

1.5061

Topological Polar Surface Area

24.92 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

125

Safety Information

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GHS Hazard Pictograms

H302

H312

H315

H319

H332

H335

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

(+/-)-Nornicotine, >=98% (TLC), liquid
GF-0112
3-(2-Pyrrolidinyl)pyridine
BB 0249476
(+-)-Nornicotine
.beta.-dl-Nornicotine
AB01223
NC00040
NCGC00163364-01
AR1067
(+-)-1'-demethyl-Nicotine
LS-96491
Nicotine, 1'-demethyl-, (.+.)-
AKOS016050380
Nornicotine, hydrochloride, (-)-
Nicotine, 1'-demethyl-, (.+/-.)-
nornicotine
(+-)-3-(2-Pyrrolidinyl)pyridine
SCHEMBL158145
AC-10074
3-pyrrolidin-2-ylpyridine
Nornicotine, 97%
dl-Norcitine
SB37344
3-(pyrrolidin-2-yl)pyridine
(S)-3-Pyrrolidin-2-yl-pyridine
AKOS001428655
FT-0635832
DL-NORNICOTINE
(+/-)-Nornicotine-d4, 100 mug/mL in methanol, ampule of 1 mL, certified reference material
(+/-)-Nornicotine

MDL Number

MFCD00016913

Customs Code

2933990090

FAQ

What regulatory guidelines apply to (2S)-2-(3-Pyridinyl)pyrrolidinium (CAS: 5746-86-1)?

Regulatory guidelines for (2S)-2-(3-Pyridinyl)pyrrolidinium (CAS: 5746-86-1) include GHS classification, which categorizes it as a flammable liquid. REACH regulations require manufacturers and importers to register this compound if the annual tonnage exceeds 1 ton. FDA and EPA regulations may apply for its use in pharmaceuticals and environmental protection, respectively. Compliance with these guidelines is crucial for safe handling and distribution.

Are there alternatives to (2S)-2-(3-Pyridinyl)pyrrolidinium (CAS: 5746-86-1) in synthesis?

Yes, there are alternative reagents and isomers that can be used in synthesis. For example, (2R)-2-(3-pyridinyl)pyrrolidinium or other pyridinyl-pyrrolidinium derivatives can serve as suitable alternatives. Additionally, commonly used reagents such as triethylamine or pyridine can be explored depending on the specific application and desired reaction outcomes.

What is the market or research trend for (2S)-2-(3-Pyridinyl)pyrrolidinium (CAS: 5746-86-1)?

The market for (2S)-2-(3-Pyridinyl)pyrrolidinium (CAS: 5746-86-1) is growing due to its applications in pharmaceuticals and agrochemicals. Research trends indicate increasing interest in its use as a chiral auxiliary in asymmetric synthesis. The price trend shows stability with minor fluctuations, driven by increasing demand. Emerging research fields focus on its potential in drug discovery and catalysis.

How should waste containing (2S)-2-(3-Pyridinyl)pyrrolidinium (CAS: 5746-86-1) be handled?

Waste containing (2S)-2-(3-Pyridinyl)pyrrolidinium (CAS: 5746-86-1) should be collected in appropriate containers and properly labeled. Incineration is a common method for disposal, ensuring it is done at a professional incineration facility. Environmental protection precautions include minimizing spillage and ensuring adequate ventilation. Disposal must comply with local and national regulations to prevent environmental contamination.