Description

3-[Bis(2-Chloroethyl)Amino]-p-Toluic Acid Methyl Ester is a specialized nitrogen mustard derivative, a class of compounds known for their alkylating properties. This compound is a critical pharmaceutical intermediate in the synthesis of more complex therapeutic agents, particularly in oncology research. It is primarily utilized by pharmaceutical manufacturers and contract research organizations (CROs) engaged in the development of novel chemotherapeutic drugs and targeted therapies.

Application

• Pharmaceutical Intermediate: Key building block in the synthesis of nitrogen mustard-based chemotherapeutic agents and prodrugs.
• Oncology Research: Used in preclinical and research settings to develop new alkylating agents for cancer treatment.
• Bioconjugation: Serves as a linker or payload in antibody-drug conjugate (ADC) development due to its reactive chloroethyl groups.
• Medicinal Chemistry: A versatile scaffold for structure-activity relationship (SAR) studies to optimize potency and reduce side effects.
• Chemical Biology: Tool compound for studying DNA alkylation mechanisms and cellular response to alkylating damage.

Basic Information

Product Name	3-[Bis(2-Chloroethyl)Amino]-p-Toluic Acid Methyl Ester
CAS No.	18583-88-5
Molecular Formula	C14H19Cl2NO2
Molecular Weight	304.22 g/mol
Synonyms	Methyl 3-[bis(2-chloroethyl)amino]-4-methylbenzoate; 4-Methyl-3-[bis(2-chloroethyl)amino]benzoic Acid Methyl Ester; NSC 113942; p-Toluic Acid, 3-[bis(2-chloroethyl)amino]-, Methyl Ester; Methyl 4-Methyl-3-[bis(2-chloroethyl)amino]benzoate; 3-(Bis(2-chloroethyl)amino)-4-methylbenzoic Acid Methyl Ester; Nitrogen Mustard p-Toluate Methyl Ester
EINECS	Contact for details

Quality Control

Our 3-[Bis(2-Chloroethyl)Amino]-p-Toluic Acid Methyl Ester is manufactured under a strict quality management system. Each batch undergoes comprehensive analytical testing, including HPLC for purity and identity confirmation, to ensure it meets the stringent requirements for pharmaceutical intermediate use. Certificates of Analysis (COA) documenting all critical quality attributes are provided and available upon request.

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). Keep away from heat, open flames, and incompatible materials. Due to its light-sensitive nature, containers should be amber or opaque.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (HPLC)	Retention time matches reference standard
Assay (HPLC)	≥ 98.0%
Related Substances (HPLC)	Total impurities ≤ 2.0%
Any single unknown impurity	≤ 0.5%
Loss on Drying	≤ 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.