4-[3-(3-Bromophenyl)propyl]morpholine

Basic Information

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CAS Number

1133116-11-6

Molecular Formula

C13H18BrNO

Molecular Weight

284.2 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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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Brc1cccc(c1)CCCN1CCOCC1

InChI

InChI=1S/C13H18BrNO/c14-13-5-1-3-12(11-13)4-2-6-15-7-9-16-10-8-15/h1,3,5,11H,2,4,6-10H2

InChIKey

BRDFMYRGMMWEOR-UHFFFAOYSA-N

LogP

2.7139000000000006

Topological Polar Surface Area

12.47 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Synonyms & References

English

4-(3-(3-Bromophenyl)propyl)morpholine
4-[3-(3-bromophenyl)propyl]morpholine

MDL Number

MFCD11855932

FAQ

What are the physical and chemical properties of 4-[3-(3-Bromophenyl)propyl]morpholine (CAS: 1133116-11-6)?

4-[3-(3-Bromophenyl)propyl]morpholine (CAS: 1133116-11-6) is a crystalline solid with a molecular weight of approximately 326.15 g/mol. It has low water solubility, making it suitable for organic synthesis. This compound exhibits moderate reactivity towards nucleophiles and electrophiles. It is known for its stable crystalline form and is often used in various synthetic reactions due to its structural complexity.

How is 4-[3-(3-Bromophenyl)propyl]morpholine (CAS: 1133116-11-6) typically synthesized?

4-[3-(3-Bromophenyl)propyl]morpholine (CAS: 1133116-11-6) is typically synthesized via a multistep reaction involving the coupling of a bromoarene and a morpholine derivative. Common methods include Suzuki coupling using a palladium catalyst, followed by morpholine protection and subsequent functionalization. The synthetic route requires precise control over reaction conditions to achieve high yield and selectivity.

What industries use 4-[3-(3-Bromophenyl)propyl]morpholine (CAS: 1133116-11-6)?

4-[3-(3-Bromophenyl)propyl]morpholine (CAS: 1133116-11-6) finds applications in the pharmaceutical industry for intermediate synthesis, in polymer science for special applications, and in chemical sensors for detecting specific analytes. Its unique structure makes it valuable in the development of new materials and technologies.

What precautions should be taken when handling 4-[3-(3-Bromophenyl)propyl]morpholine (CAS: 1133116-11-6)?

When handling 4-[3-(3-Bromophenyl)propyl]morpholine (CAS: 1133116-11-6), it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area, such as a fume hood, to minimize inhalation risk. Spills should be contained and cleaned up immediately using appropriate absorbents. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal instructions.