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2-Propenoic acid, 2-methyl-, 4,4,4-trifluoro-3-hydroxy-1-methyl-3-(trifluoromethyl)butyl ester

CAS 630414-85-6 · Fluorinated Compound · 4 functional traits · cGMP compliant · Ships from USA in 2-3 days

Fluorinated Compound

2-Propenoic acid, 2-methyl-, 4,4,4-trifluoro-3-hydroxy-1-methyl-3-(trifluoromethyl)butyl ester

Fluorinated PharmaceuticalDiagnostic ImagingAgrochemicalMaterials SciencePolymerFine Chemical
CAS Number 630414-85-6
Category Fluorinated Compound · Carboxylic Acid
Origin USA
Compliance cGMP

Questions? Contact our chemistry team:

chemistry@chem-contract.com | +1 (714) 732-8549
In stock — typically ships within 2-3 business days

About 2-Propenoic acid, 2-methyl-, 4,4,4-trifluoro-3-hydroxy-1-methyl-3-(trifluoromethyl)butyl ester

2-Propenoic acid, 2-methyl-, 4,4,4-trifluoro-3-hydroxy-1-methyl-3-(trifluoromethyl)butyl ester (CAS Number: 630414-85-6) is a fluorine-containing building block with enhanced metabolic stability with defined stereochemistry. ChemContract Research supplies this moderate-complexity compound in high purity from our Huntington Beach, California facility, ensuring consistent quality and reliable domestic delivery throughout the United States.

The carbon–fluorine bond is the strongest single bond to carbon (485 kJ/mol). This exceptional stability underpins the "fluorine scan" strategy used in medicinal chemistry to optimize drug candidates. Carboxylic acids are among the most synthetically versatile functional groups — they can be converted to amides, esters, acid chlorides, anhydrides, alcohols, and aldehydes in a single step. Ester hydrolysis by cellular esterases is the most commonly exploited prodrug activation mechanism — enabling drugs that cannot cross biological membranes as free acids.

Primary applications include metabolic blocking strategy — fluorine substitution to improve drug half-life and amide bond formation via edc/hobt or hatu coupling in peptide synthesis. This compound serves researchers and manufacturers across the pharmaceutical, diagnostic imaging, agrochemical sectors. Whether you require 2-Propenoic acid, 2-methyl-, 4,4,4-trifluoro-3-hydroxy-1-methyl-3-(trifluoromethyl)butyl ester for early-stage research, process development, or commercial-scale production, ChemContract Research offers flexible ordering from milligram to multi-kilogram quantities with custom synthesis options and full batch documentation including Certificates of Analysis (CoA) and Safety Data Sheets.

Functional Groups: Carboxylic acid (–COOH)Ester (–COOR)Hydroxyl (–OH)Fluorine (C–F)
Stereochemistry: Defined Configuration

Fluorinated Compound Applications & Target Industries

How 2-Propenoic acid, 2-methyl-, 4,4,4-trifluoro-3-hydroxy-1-methyl-3-(trifluoromethyl)butyl ester is used across pharmaceutical and diagnostic imaging sectors

01

Metabolic blocking strategy — fluorine substitution to improve drug half-life

02

Amide bond formation via EDC/HOBt or HATU coupling in peptide synthesis

03

Prodrug development to mask carboxylic acids and improve membrane permeability

04

Enantiopure building block for single-enantiomer drug development

05

PET radiotracer precursor ([¹⁸F]-labeling) for diagnostic imaging

06

Salt formation with amines to improve drug crystallinity and stability

Target Industries: PharmaceuticalDiagnostic ImagingAgrochemicalMaterials SciencePolymerFine Chemical

2-Propenoic acid, 2-methyl-, 4,4,4-trifluoro-3-hydroxy-1-methyl-3-(trifluoromethyl)butyl ester Specifications

Detailed specifications for this fluorinated compound, including purity, molecular weight, and analytical data are available upon request. Every batch from ChemContract Research includes:

  • Certificate of Analysis (CoA) with purity verification
  • HPLC, NMR, and/or mass spectrometry characterization data
  • Material Safety Data Sheet (MSDS/SDS)
  • Batch-specific documentation and lot traceability
  • Custom analytical testing available on request
Request Full Specifications

Quick Reference

Compound Name 2-Propenoic acid, 2-methyl-, 4,4,4-trifluoro-3-hydroxy-1-methyl-3-(trifluoromethyl)butyl ester
Type Fluorinated Compound
Category Fluorinated Compound · Carboxylic Acid
Purity ≥95% (custom grades available)
Stereochemistry Defined configuration (chiral HPLC verified)
Complexity Moderate (4 functional groups, 0 rings)
Compliance cGMP
Packaging mg to kg scale

Storage & Handling for Fluorinated Compounds

Handling Guidelines

Handle with care in a well-ventilated fume hood. Some fluorinated compounds may release HF upon decomposition. Use chemical-resistant gloves. Acids may be corrosive or irritating. Handle with chemical-resistant gloves and eye protection. Use a fume hood for volatile acids. Some esters are volatile and flammable. Handle in a well-ventilated area. Keep away from ignition sources. Handle with standard precautions. Ensure proper labeling of stereochemical identity to prevent mix-ups.

Storage Conditions

Store at recommended temperature in a tightly sealed container. Protect from moisture, heat, and incompatible materials. Store at room temperature in a tightly sealed container. Protect from moisture and strong bases. Store at room temperature in a tightly sealed container away from heat and open flame. Store under recommended conditions. Some chiral compounds may racemize at elevated temperatures or in the presence of base.

Why Buy 2-Propenoic acid, 2-methyl-, 4,4,4-trifluoro-3-hydroxy-1-methyl-3-(trifluoromethyl)butyl ester From ChemContract?

Quality Assured

Every batch of 2-Propenoic acid, 2-methyl-, 4,4,4-trifluoro-3-hydroxy-1-methyl-3-(trifluoromethyl)butyl ester is produced under cGMP conditions with full CoA documentation, HPLC purity verification, and lot traceability.

Fast USA Shipping

Ship from our Huntington Beach, CA facility with 2-3 business day domestic delivery. No import delays, no customs fees, no tariff surprises.

Custom Synthesis

Need a specific grade, quantity, or derivative of 2-Propenoic acid, 2-methyl-, 4,4,4-trifluoro-3-hydroxy-1-methyl-3-(trifluoromethyl)butyl ester? Our team of PhD chemists can develop custom synthesis solutions for your exact requirements.

Frequently Asked

Common questions about 2-Propenoic acid, 2-methyl-, 4,4,4-trifluoro-3-hydroxy-1-methyl-3-(trifluoromethyl)butyl ester

What is 2-Propenoic acid, 2-methyl-, 4,4,4-trifluoro-3-hydroxy-1-methyl-3-(trifluoromethyl)butyl ester used for? +

2-Propenoic acid, 2-methyl-, 4,4,4-trifluoro-3-hydroxy-1-methyl-3-(trifluoromethyl)butyl ester is a fluorine-containing building block with enhanced metabolic stability used primarily in the pharmaceutical and diagnostic imaging industries. Key applications include metabolic blocking strategy — fluorine substitution to improve drug half-life and amide bond formation via edc/hobt or hatu coupling in peptide synthesis.

Where can I buy 2-Propenoic acid, 2-methyl-, 4,4,4-trifluoro-3-hydroxy-1-methyl-3-(trifluoromethyl)butyl ester in the USA? +

ChemContract Research is a trusted USA-based supplier of 2-Propenoic acid, 2-methyl-, 4,4,4-trifluoro-3-hydroxy-1-methyl-3-(trifluoromethyl)butyl ester. We offer competitive pricing, fast domestic shipping from our Huntington Beach, California facility, and full quality documentation including Certificates of Analysis (CoA). Request a quote at chemistry@chem-contract.com or call +1 (714) 732-8549.

What purity levels are available for 2-Propenoic acid, 2-methyl-, 4,4,4-trifluoro-3-hydroxy-1-methyl-3-(trifluoromethyl)butyl ester? +

ChemContract Research supplies 2-Propenoic acid, 2-methyl-, 4,4,4-trifluoro-3-hydroxy-1-methyl-3-(trifluoromethyl)butyl ester in multiple purity grades: ≥95% standard grade, ≥97% high-purity grade, and ≥99% ultra-high-purity grade depending on application requirements. We can also provide custom purity grades through our synthesis capabilities. Contact us for specific purity information and CoA documentation.

Can ChemContract synthesize 2-Propenoic acid, 2-methyl-, 4,4,4-trifluoro-3-hydroxy-1-methyl-3-(trifluoromethyl)butyl ester in custom quantities? +

Yes. ChemContract Research offers custom synthesis services for 2-Propenoic acid, 2-methyl-, 4,4,4-trifluoro-3-hydroxy-1-methyl-3-(trifluoromethyl)butyl ester from milligram to multi-kilogram scale. Our cGMP-compliant facilities and experienced chemists can accommodate custom specifications, packaging requirements, and delivery timelines. Contact our team to discuss your project.

What coupling reagents work best with 2-Propenoic acid, 2-methyl-, 4,4,4-trifluoro-3-hydroxy-1-methyl-3-(trifluoromethyl)butyl ester? +

For amide bond formation from the carboxylic acid in 2-Propenoic acid, 2-methyl-, 4,4,4-trifluoro-3-hydroxy-1-methyl-3-(trifluoromethyl)butyl ester, HATU/DIPEA is recommended for peptide coupling (high yield, low epimerization). EDC/HOBt is a cost-effective alternative for non-peptide amides. T3P (propylphosphonic acid anhydride) offers excellent atom economy with easy workup. For ester formation, DCC/DMAP (Steglich conditions) or Mitsunobu conditions are standard.

What is the stereochemical purity of 2-Propenoic acid, 2-methyl-, 4,4,4-trifluoro-3-hydroxy-1-methyl-3-(trifluoromethyl)butyl ester? +

ChemContract Research supplies 2-Propenoic acid, 2-methyl-, 4,4,4-trifluoro-3-hydroxy-1-methyl-3-(trifluoromethyl)butyl ester with verified enantiomeric or diastereomeric purity as documented in our Certificate of Analysis (CoA). Chiral HPLC analysis is standard for stereodefined compounds. We can provide material with ≥98% ee/de for demanding applications. Contact us for specific optical purity requirements.

How should I store 2-Propenoic acid, 2-methyl-, 4,4,4-trifluoro-3-hydroxy-1-methyl-3-(trifluoromethyl)butyl ester? +

Store at recommended temperature in a tightly sealed container. Protect from moisture, heat, and incompatible materials. Store at room temperature in a tightly sealed container. Protect from moisture and strong bases. Store at room temperature in a tightly sealed container away from heat and open flame. Store under recommended conditions. Some chiral compounds may racemize at elevated temperatures or in the presence of base. Always consult the compound-specific Safety Data Sheet (SDS) provided with your order for detailed storage requirements. ChemContract Research includes handling and storage documentation with every shipment.

What is the CAS number of 2-Propenoic acid, 2-methyl-, 4,4,4-trifluoro-3-hydroxy-1-methyl-3-(trifluoromethyl)butyl ester? +

The CAS Registry Number for 2-Propenoic acid, 2-methyl-, 4,4,4-trifluoro-3-hydroxy-1-methyl-3-(trifluoromethyl)butyl ester is 630414-85-6. This unique identifier is used worldwide to reference this specific compound in chemical databases, regulatory filings, and scientific literature. ChemContract Research supplies this compound with full quality documentation. Contact us at chemistry@chem-contract.com for availability and pricing.

Chemical analysis laboratory with HPLC instruments for purity and impurity testing Custom chemical synthesis reaction setup for pharmaceutical intermediate production

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