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1-tert-Butoxycarbonylamino-3,3-Difluoro-Cyclobutanecarboxylic Acid Methyl Ester CAS NO 2097068-68-1


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CAS No.:2097068-68-1

Grade:Pharmacy Grade

Content:99.9%

Brand:Customizable

Packaging:Customizable

Description

1-tert-Butoxycarbonylamino-3,3-Difluoro-Cyclobutanecarboxylic Acid Methyl Ester is a high-value, multifunctional building block featuring a protected amino group and a difluorinated cyclobutane ring system. This compound is critical for medicinal chemistry research, enabling the synthesis of novel bioactive molecules with enhanced metabolic stability and binding affinity. It is primarily utilized by pharmaceutical R&D teams and fine chemical manufacturers for developing new drug candidates, particularly in areas targeting kinases, proteases, and other challenging biological targets.

Application

  • Pharmaceutical Intermediate: A key synthon in the research and development of novel Active Pharmaceutical Ingredients (APIs), especially for small molecule therapeutics.
  • Protease Inhibitor Synthesis: Used in constructing core scaffolds for protease inhibitors, leveraging the conformational constraint of the cyclobutane ring.
  • Kinase Inhibitor Development: Serves as a privileged fragment in creating potent and selective kinase inhibitors, where the difluoro motif can modulate potency and physicochemical properties.
  • Peptidomimetics: Incorporated into peptide analogs to enhance stability against enzymatic degradation and improve membrane permeability.
  • Chemical Biology Probes: Employed in the synthesis of tool compounds and probes for target identification and validation in biological systems.
  • Agrochemical Research: Potential use as an intermediate in the discovery of new agrochemicals with improved efficacy.
  • Material Science: Exploration into fluorinated polymers or specialty materials with unique properties derived from its rigid, fluorinated structure.

Basic Information

Product Name 1-tert-Butoxycarbonylamino-3,3-Difluoro-Cyclobutanecarboxylic Acid Methyl Ester
CAS No. 2097068-68-1
Molecular Formula C12H19F2NO4
Molecular Weight 279.28 g/mol
Synonyms Methyl 1-((tert-butoxycarbonyl)amino)-3,3-difluorocyclobutane-1-carboxylate; 1-(Boc-amino)-3,3-difluorocyclobutanecarboxylic acid methyl ester; 1-[(tert-Butoxycarbonyl)amino]-3,3-difluorocyclobutanecarboxylic Acid Methyl Ester; Boc-3,3-difluoro-cyclobutaneglycine methyl ester; tert-Butyl (3,3-difluoro-1-(methoxycarbonyl)cyclobutyl)carbamate; (3,3-Difluoro-1-methoxycarbonyl-cyclobutyl)-carbamic acid tert-butyl ester; N-Boc-3,3-difluorocyclobutanecarboxylic acid methyl ester (ambiguous, but commonly searched)
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Quality Control

Our 1-tert-Butoxycarbonylamino-3,3-Difluoro-Cyclobutanecarboxylic Acid Methyl Ester is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, NMR, and MS, to ensure identity, purity, and consistency. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing all specified parameters. Our quality commitment aligns with cGMP standards for pharmaceutical intermediates, ensuring reliable supply for critical R&D and scale-up projects.

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). The product is moisture-sensitive (hygroscopic) and should be handled under inert atmosphere (e.g., nitrogen) for long-term storage to prevent degradation.

Specification

Item Specification
Appearance White to off-white crystalline powder
Identification (IR) Conforms to structure
Identification (NMR) Conforms to structure
Purity (HPLC) ≥ 98.0%
Water Content (KF) ≤ 0.5%
Residual Solvents (GC) Meets ICH guidelines

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

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