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CAS 2046-18-6

4-Phenylbutyronitrile TCI P1025

4-Phenylbutyronitrile TCI P1025

Chemical Identity

CAS No.
2046-18-6
PubChem
CID 74897·SID 87575137
Formula
C10H11N
Molecular weight
145.20 g/mol
Purity
>98.0%(GC)
Full identifiers (IUPAC, SMILES, InChIKey)
IUPAC
4-phenylbutanenitrile
SMILES
C1=CC=C(C=C1)CCCC#N
InChIKey
ICMVGKQFVMTRLB-UHFFFAOYSA-N
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4-Phenylbutyronitrile from TCI (product code P1025, CAS 2046-18-6) is an aliphatic nitrile with a phenyl group at the end of a four-carbon chain. It is a versatile non-heterocyclic building block used in synthetic chemistry laboratories. The nitrile group is easy to convert into other functional groups, so the compound is a useful starting material for amines, carboxylic acids, amides, ketones and a range of heterocycles that carry a phenylbutyl or phenylpropyl chain. In the laboratory it serves as a reliable intermediate for building larger molecules.

Researchers choose this compound because the nitrile group stays fairly stable under many reaction conditions but can be activated in a controlled way when needed. Reducing the nitrile gives 4-phenylbutylamine. Hydrolysis gives 4-phenylbutyric acid or its amide, and adding a Grignard reagent gives ketones. The protons alpha to the nitrile are acidic enough to be alkylated with a strong base, which allows further changes to the carbon chain. The flexible alkyl chain between the phenyl ring and the functional group makes it a common linker in the design of bioactive molecules.

In Indonesian laboratories, 4-Phenylbutyronitrile suits medicinal chemistry research, where chemists build and modify candidate structures that contain aryl-alkyl linkers. It is also useful for synthesising pharmaceutical intermediates in university and industrial research groups. Teaching laboratories can use it in advanced organic chemistry practicals on nitrile transformations, such as reduction, hydrolysis and organometallic addition. Because it comes from TCI, a recognised reagent brand, researchers can source it consistently for repeated experiments and longer research projects.

  • Amine synthesis: reducing the nitrile group gives 4-phenylbutylamine, a primary amine with a flexible phenylalkyl chain that is useful for further coupling and derivatisation work.
  • Carboxylic acid and amide preparation: controlled hydrolysis turns the nitrile into 4-phenylbutyric acid or its amide, giving direct access to these common synthetic intermediates.
  • Ketone formation: adding Grignard reagents to the nitrile group gives ketones, so it is a practical substrate for building carbon–carbon bonds in multistep synthesis routes.
  • Alpha-alkylation studies: the protons next to the nitrile are acidic enough to remove with a strong base, so the carbon skeleton can be extended or branched in a targeted way.
  • Medicinal chemistry linker design: the flexible chain between the phenyl ring and the functional group makes it a common linker for building and modifying bioactive molecule candidates.

Brand TCI (product code P1025)
CAS number 2046-18-6
Molecular formula —
Purity —
Category Chemistry > Building Blocks > Non-Heterocyclic Building Blocks
Pack sizes as offered in the current TCI catalogue for product P1025
Physical form see the TCI product documentation and certificate of analysis
Storage follow the conditions stated on the TCI label and safety data sheet

Keep 4-Phenylbutyronitrile in its original, tightly closed TCI container in a cool, dry, well-ventilated place, away from heat, ignition sources and direct sunlight. Store it apart from strong oxidisers, strong acids and strong bases. If you transfer it to another container, use clean, chemically compatible glass and label it clearly. Handle it in a fume hood and wear suitable gloves, safety glasses and a lab coat. Avoid breathing in vapour and avoid contact with skin or eyes. Read the TCI safety data sheet before use, and dispose of waste according to institutional and local regulations.

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