Description

7-Amino-4-Chloro-3-(3-Isothiureidopropoxy)Isocoumarin is a specialized heterocyclic organic compound with a CAS number of 113251-07-3. This molecule is valued for its unique structural features, including the isocoumarin core and reactive isothiourea moiety, which make it a versatile intermediate in advanced chemical synthesis. It is primarily sought by research and development teams in the pharmaceutical and agrochemical sectors for creating novel active ingredients and functional materials.

Application

• Pharmaceutical Intermediate: A key building block in the synthesis of novel drug candidates, particularly those targeting enzymes where the isocoumarin scaffold is pharmacologically active.
• Protease Inhibitor Research: Used in biochemical research as a core structure for developing serine protease inhibitors due to the reactive electrophilic center of the isocoumarin ring.
• Agrochemical Synthesis: Serves as a precursor in the development of new pesticides and herbicides, leveraging its heterocyclic structure for bioactivity.
• Fluorescent Probe Development: Utilized in the design and synthesis of fluorescent dyes and molecular probes for bioimaging and diagnostic applications.
• Chemical Biology Tool: Acts as an activity-based probe (ABP) for labeling and studying enzyme families in proteomic research.
• Material Science Research: Investigated as a monomer or cross-linking agent for creating polymers with specific optical or electronic properties.

Basic Information

Item	Detail
Product Name	7-Amino-4-Chloro-3-(3-Isothiureidopropoxy)Isocoumarin
CAS No.	113251-07-3
Molecular Formula	C13H15ClN4O3S
Molecular Weight	342.80 g/mol
Synonyms	7-Amino-4-chloro-3-(3-isothioureidopropoxy)-2H-1-benzopyran-2-one; 4-Chloro-7-amino-3-(3-isothioureidopropoxy)isocoumarin; 3-(3-Isothioureidopropoxy)-7-amino-4-chloroisocoumarin; 113251-07-3; ATIC; Isocoumarin protease inhibitor intermediate
EINECS	Contact for details

Quality Control

Our production of 7-Amino-4-Chloro-3-(3-Isothiureidopropoxy)Isocoumarin adheres to stringent quality protocols to ensure batch-to-batch consistency and high purity for research and synthesis applications. Each lot undergoes comprehensive analytical testing, including HPLC for purity and NMR for structural confirmation. A Certificate of Analysis (COA) detailing all specifications is provided with every shipment to support your quality assurance and regulatory documentation.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C). Due to its hygroscopic nature, the container must be kept tightly sealed in a dry environment to prevent moisture absorption, which can affect stability and performance. Keep away from incompatible materials.

Specification

Item	Specification
Appearance	Off-white to light yellow crystalline powder
Identification (IR)	Conforms to structure
Identification (HPLC)	Retention time matches reference standard
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 1.0%
Residue on Ignition	≤ 0.5%

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