Description

3-Isothiocyanato-2-Methylbenzoic Acid Methyl Ester is a specialized organic building block of significant interest in advanced chemical synthesis. This compound matters for its dual functional groups—the isothiocyanate and the methyl ester—which enable its use as a key intermediate in constructing complex molecular architectures. It is primarily needed by research and development chemists in the pharmaceutical and agrochemical industries for applications such as medicinal chemistry, heterocycle synthesis, and the development of novel active ingredients.

Application

• Pharmaceutical Intermediate: Serves as a crucial building block in the synthesis of novel drug candidates, particularly those containing benzothiazole or thiourea moieties.
• Agrochemical Research: Used in the development of new pesticides and herbicides, leveraging the reactive isothiocyanate group for derivatization.
• Chemical Biology Probe Synthesis: Acts as a starting material for creating isothiocyanate-based probes used in protein labeling and bioconjugation studies.
• Heterocyclic Compound Synthesis: A key precursor for the construction of various nitrogen and sulfur-containing heterocycles, which are common scaffolds in bioactive molecules.
• Material Science Research: Investigated for the synthesis of specialized monomers or functional materials requiring specific aromatic esters.
• Custom Synthesis & Contract Manufacturing: Supplied to CDMOs (Contract Development and Manufacturing Organizations) for client-specific, multi-step synthetic projects.

Basic Information

Item	Detail
Product Name	3-Isothiocyanato-2-Methylbenzoic Acid Methyl Ester
CAS No.	1001185-62-1
Molecular Formula	C10H9NO2S
Molecular Weight	207.25 g/mol
Synonyms	Methyl 3-Isothiocyanato-2-methylbenzoate; 2-Methyl-3-isothiocyanatobenzoic Acid Methyl Ester; Benzoic acid, 3-isothiocyanato-2-methyl-, methyl ester; Methyl 2-methyl-3-isothiocyanatobenzoate
EINECS	Contact for details

Quality Control

Our 3-Isothiocyanato-2-Methylbenzoic Acid Methyl Ester is produced under a strict quality management system. Each batch undergoes comprehensive analytical characterization, including HPLC for purity assessment and NMR/IR for structural confirmation, to ensure it meets the high standards required for research and development. Certificates of Analysis (COA) detailing batch-specific results are available upon request to support your regulatory and quality assurance needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (typically 15-25°C). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept tightly sealed after opening to prevent degradation from atmospheric moisture.

Specification

Item	Specification
Appearance	White to off-white crystalline powder or solid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.