1-[3-(1H-Pyrrol-1-yl)phenyl]methanamine

Basic Information

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CAS Number

368869-95-8

Molecular Formula

C11H12N2

Molecular Weight

172.23 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Boiling Point

138 °C

SMILES

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C1=CN(C=C1)C2=CC=CC(=C2)CN

InChI

InChI=1S/C11H12N2/c12-9-10-4-3-5-11(8-10)13-6-1-2-7-13/h1-8H,9,12H2

InChIKey

XLBYUDUEHVKUKQ-UHFFFAOYSA-N

LogP

1.9359999999999995

Topological Polar Surface Area

30.95 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

152

Safety Information

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Hazard Statement

Synonyms & References

English

XLBYUDUEHVKUKQ-UHFFFAOYSA-N
3-(1H-pyrol-1-yl)benzylamine
CS-0317946
DTXSID50380162
SB62983
Q27465511
3-(1H-Pyrrol-1-Yl)Benzylamine
[3-(1H-pyrrol-1-yl)phenyl]methanamine
A923602
MFCD03086143
(3-(1h-pyrrol-1-yl)phenyl)methanamine
3-(1H-Pyrrol-1-yl)benzylamine, AldrichCPR
FT-0613499
SCHEMBL109402
AKOS009097588
TS-02349
(3-pyrrol-1-ylphenyl)methanamine
SW2
368869-95-8
SDCCGMLS-0066034.P001
1-[3-(1h-Pyrrol-1-Yl)phenyl]methanamine
J-501069
Benzenemethanamine,3-(1H-pyrrol-1-yl)-
3-(1H-PYRROL-1-YL)BENZYLAMINE
3-pyrrol-1-yl-benzylamine

MDL Number

MFCD03086143

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 1-[3-(1H-Pyrrol-1-yl)phenyl]methanamine (CAS: 368869-95-8)?

1-[3-(1H-Pyrrol-1-yl)phenyl]methanamine is a crystalline compound with a molecular weight of approximately 215.26 g/mol. It is slightly soluble in water but soluble in organic solvents like ethanol and acetone. The compound is reactive towards nucleophiles and can undergo substitution reactions. It has a melting point of around 200-205°C and is stable under normal storage conditions.

How is 1-[3-(1H-Pyrrol-1-yl)phenyl]methanamine (CAS: 368869-95-8) typically synthesized?

1-[3-(1H-Pyrrol-1-yl)phenyl]methanamine is typically synthesized via a multistep process starting with the condensation of an aromatic amine with 1H-pyrrole. Commonly used methods involve palladium catalyzed cross-coupling reactions. The synthesis involves precise control of reaction conditions to achieve high yields and selectivity. The product is isolated and purified using column chromatography and recrystallization techniques.

What industries use 1-[3-(1H-Pyrrol-1-yl)phenyl]methanamine (CAS: 368869-95-8)?

1-[3-(1H-Pyrrol-1-yl)phenyl]methanamine is used in the pharmaceutical industry for the development of certain drugs. It is also utilized in the production of polymers and sensors. Its unique chemical properties make it suitable for use in materials science, particularly in the fabrication of semiconductors and conductive polymers. The compound’s reactivity and stability contribute to its applications in these industries.

What precautions should be taken when handling 1-[3-(1H-Pyrrol-1-yl)phenyl]methanamine (CAS: 368869-95-8)?

When handling 1-[3-(1H-Pyrrol-1-yl)phenyl]methanamine, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood to avoid inhalation. Spills should be cleaned up immediately using an appropriate neutralizing agent. It is recommended to consult the Safety Data Sheet (SDS) for detailed emergency response and storage instructions. Storage should be in a cool, dry place, away from direct sunlight and heat sources.