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CAS 3556-60-3

3-Methoxy-4-methylbenzonitrile TCI M1977

3-Methoxy-4-methylbenzonitrile TCI M1977

Chemical Identity

CAS No.
3556-60-3
PubChem
CID 14752994·SID 125307536
Formula
C9H9NO
Molecular weight
147.17 g/mol
Purity
>98.0%(GC)
Reference databases
ECHA
Full identifiers (IUPAC, SMILES, InChIKey)
IUPAC
3-methoxy-4-methylbenzonitrile
SMILES
CC1=C(C=C(C=C1)C#N)OC
InChIKey
QLJZMAGXHHXXMS-UHFFFAOYSA-N
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TCI M1977 3-Methoxy-4-methylbenzonitrile is an aromatic building block that carries three important functional groups at once — a nitrile, a methoxy group, and a methyl group — arranged in a defined substitution pattern on the benzene ring. In organic synthesis laboratories, a compound of this kind is valuable because it supplies a ready-to-use substituted aromatic framework, sparing researchers the long sequence of substitution reactions that often risks producing isomer mixtures. The nitrile group itself serves as a versatile starting point toward many other functional groups frequently required in the design of target molecules.

The property that makes this material a preferred choice is the wide range of transformations that can be performed on the nitrile group. Nitriles can be reduced to primary amines, hydrolysed to carboxylic acids or amides, converted into aldehydes, or transformed into tetrazole rings, which are commonly used as replacements for acid groups in medicinal chemistry research. The methoxy group is electron-donating and influences the direction of reactions on the ring, while the methyl group adds lipophilic character and at the same time provides a position available for further functionalisation. This fixed substitution pattern gives predictable, reproducible behaviour across repeated preparations.

In Indonesian laboratories, this building block is typically used in university and institutional research groups working on organic synthesis, medicinal chemistry, and materials chemistry, as well as in industrial R&D units developing new candidate molecules. Because it arrives as a defined, regiochemically fixed intermediate, it fits well in settings where instrument time and purification capacity are limited, allowing research teams to advance directly to the key step of a synthetic route rather than spending resources building the aromatic core.

  • Medicinal chemistry intermediate synthesis — the nitrile provides direct access to amines, amides, carboxylic acids, and tetrazoles that frequently appear in candidate molecules under investigation.
  • Primary amine preparation via nitrile reduction — reduction of the nitrile group yields a benzylamine framework already carrying the methoxy and methyl substituents in fixed positions.
  • Carboxylic acid and amide route development — controlled hydrolysis of the nitrile gives acid or amide products without requiring separate construction of the substituted aromatic ring.
  • Tetrazole bioisostere research — conversion of the nitrile into a tetrazole ring supports medicinal chemistry studies that replace acid groups while retaining the aromatic scaffold.
  • Structure-activity relationship studies — the electron-donating methoxy group and the lipophilic methyl group allow systematic comparison of substituent effects across related analogue series.

Brand TCI (Tokyo Chemical Industry)
CAS number 3556-60-3
Molecular formula —
Purity —
Category Chemistry > Building Blocks > Non-Heterocyclic Building Blocks
Pack sizes available in the standard research pack sizes offered for this catalogue item
Physical form —
Storage keep in a tightly closed container as indicated on the manufacturer's label
  • Chemical name: 3-Methoxy-4-methylbenzonitrile
  • Catalogue code: M1977

Store the container tightly closed in a cool, dry, well-ventilated area away from direct sunlight, heat sources, and incompatible materials, following the storage conditions stated on the manufacturer's label and safety data sheet. Keep the material in its original supplier container, or in a clean, chemically compatible, clearly labelled vessel if transferred. Handle inside a fume hood while wearing a laboratory coat, chemical-resistant gloves, and safety goggles. Avoid inhalation of dust or vapour and contact with skin and eyes. Close containers promptly after weighing to limit exposure to moisture and air, and dispose of residues and contaminated consumables through the laboratory's designated chemical waste route.

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