Description

tert-Butyl 2-Isocyano-3-Phenylpropionate is a versatile and high-value organic building block featuring both an isocyano and an ester functional group. This compound is essential for the efficient synthesis of complex heterocycles and peptidomimetics via multicomponent reactions. It is primarily sought after by research chemists and process development scientists in the pharmaceutical and agrochemical industries for constructing novel molecular scaffolds.

Application

• Pharmaceutical Intermediate: A key precursor in the synthesis of β-lactams, oxazoles, and other nitrogen-containing heterocycles with potential biological activity.
• Peptidomimetic Synthesis: Used in Ugi and Passerini multicomponent reactions to create peptide-like structures for drug discovery programs.
• Agrochemical Research: Employed in the development of new active ingredients and fungicides by providing a versatile isonitrile handle.
• Material Science: Serves as a monomer or cross-linking agent in the research of specialized polymers and functional materials.
• Chemical Biology: Utilized as a probe or labeling reagent due to the reactive isocyano group's ability to undergo cycloaddition reactions.
• Academic & Contract Research: A valuable reagent for methodology development and exploring new synthetic pathways in organic chemistry.

Basic Information

Product Name	tert-Butyl 2-Isocyano-3-Phenylpropionate
CAS No.	32755-44-5
Molecular Formula	C₁₄H₁₇NO₂
Molecular Weight	231.29 g/mol
Synonyms	2-Isocyano-3-phenylpropionic acid tert-butyl ester; tert-Butyl 2-isocyano-3-phenylpropanoate; 3-Phenyl-2-isocyanopropionic Acid tert-Butyl Ester; (2-Isocyano-2-phenylethyl)carbamic acid tert-butyl ester (tautomer); Isonitrile C6; BOC-protected β-isocyanoalanine phenyl derivative; 32755-44-5; NSC 339063
EINECS	Contact for details

Quality Control

Our tert-Butyl 2-Isocyano-3-Phenylpropionate is produced under strict quality management protocols. Each batch undergoes comprehensive analytical testing, including HPLC for purity and NMR for structural confirmation, to ensure consistency and reliability for your critical research and development. Certificates of Analysis (COA) with full specification data are available upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at room temperature (15-25°C). Due to the light-sensitive nature of the isocyano group, prolonged exposure to light should be avoided. Keep container tightly sealed when not in use to prevent moisture ingress.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 95.0%
Water Content (KF)	≤ 0.5%

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