3-(4-Methoxyphenyl)pyrrolidine

Basic Information

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CAS Number

91246-26-3

Molecular Formula

C11H15NO

Molecular Weight

177.25 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

SMILES

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COC1=CC=C(C=C1)C2CCNC2

InChI

InChI=1S/C11H15NO/c1-13-11-4-2-9(3-5-11)10-6-7-12-8-10/h2-5,10,12H,6-8H2,1H3

InChIKey

UPSZBLIRYUFEOF-UHFFFAOYSA-N

LogP

1.7720999999999998

Topological Polar Surface Area

21.259999999999998 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

152

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

3-(4-Methoxyphenyl)pyrrolidine
3-(4-methoxyphenyl)pyrrolidine hydrochloride
Pyrrolidine,3-(4-methoxyphenyl)-
3-(4-METHOXY-PHENYL)-PYRROLIDINE
UPSZBLIRYUFEOF-UHFFFAOYSA-N
5248AC
NE14060
A843773
Z992422546
3-(4-Methoxyphenyl)pyrrolidine (ACI)
Pyrrolidine, 3-(p-methoxyphenyl)- (7CI)
3-(4-methoxyphenyl)pyrrolidine
F2189-0076
AKOS005264499
MFCD09027609
DTXSID20397626
SB39848
DB-078943
Z940902820
EN300-62198
91246-26-3
BS-13864
J-510731
SCHEMBL3552712
CS-0150400

MDL Number

MFCD09027609

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 3-(4-Methoxyphenyl)pyrrolidine (CAS: 91246-26-3)?

3-(4-Methoxyphenyl)pyrrolidine (CAS: 91246-26-3) is a colorless to light yellow liquid with a molecular weight of approximately 228.26 g/mol. It has a high solubility in organic solvents such as ethanol and acetone. The compound is moderately reactive and can undergo substitution and nucleophilic addition reactions. It is stable under normal conditions but should be stored away from strong acids and bases to prevent hydrolysis.

How is 3-(4-Methoxyphenyl)pyrrolidine (CAS: 91246-26-3) typically synthesized?

3-(4-Methoxyphenyl)pyrrolidine (CAS: 91246-26-3) can be synthesized through a multistep process involving the formation of an aryl halide followed by a pyrrolidine ring closure using a suitable base. Commonly, this involves the use of aryl bromides or chlorides with pyrrolidine in the presence of a base such as potassium carbonate. The yield and selectivity are generally good, making this a viable method for laboratory and industrial synthesis.

What industries use 3-(4-Methoxyphenyl)pyrrolidine (CAS: 91246-26-3)?

3-(4-Methoxyphenyl)pyrrolidine (CAS: 91246-26-3) is primarily used in the pharmaceutical industry for the synthesis of drug intermediates. It is also employed in the polymer industry for the development of functional polymers with specific properties. Additionally, it has applications in the semiconductor industry as a precursor for organic electronic materials and in the production of sensors due to its unique chemical properties.

What precautions should be taken when handling 3-(4-Methoxyphenyl)pyrrolidine (CAS: 91246-26-3)?

When handling 3-(4-Methoxyphenyl)pyrrolidine (CAS: 91246-26-3), it is important to use appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood due to its potentially toxic nature. Spills should be cleaned up immediately using appropriate absorbent materials, and the area should be flushed with water. Always refer to the Safety Data Sheet (SDS) for detailed information on handling and storage precautions.