α-Methoxy-α-(trifluoromethyl)phenylacetic acid
α-Methoxy-α-(trifluoromethyl)phenylacetic acid (CAS 56135-03-6), with the molecular formula C6H5C(OCH3)(CF3)CO2H and a molecular weight of 234.17 g/mol, is a fluorinated organic carboxylic acid. It serves as a valuable building block in organic synthesis. This compound is primarily utilised in chemical research for developing analytical methods and as a precursor in the synthesis of complex molecules, particularly where chiral resolution or the introduction of trifluoromethyl groups is desired.
- IUPAC
- MTPA
Chiral Resolution Agent
This compound can be used to form diastereomeric bis-esters, which are instrumental in the chromatographic resolution of chiral compounds, such as diols derived from polycyclic aromatic hydrocarbons. This aids in separating enantiomers for further study or application.
NMR Shift Reagent Development
It has been employed in the empirical correlation of configurations and NMR chemical shifts for diastereomeric esters. This research application helps in understanding and predicting stereochemical outcomes in organic reactions.
Organic Synthesis Building Block
As a specialised carboxylic acid containing a trifluoromethyl group and a methoxy substituent on the same carbon, it acts as a versatile building block for introducing these functionalities into more complex organic structures.
| Molecular weight | 234.17 |
|---|---|
| Linear formula | C6H5C(OCH3)(CF3)CO2H |
| Assay | 97% |
| Boiling point | 95-98 °C/0.05 mmHg(lit.) |
| Refractive index | n20/D 1.476(lit.) |
| Storage temperature | 2-8°C |
| Application | Diastereomeric bis-esters of (±)-trans-7,8-dihydroxy-7,8,9,10-tetrahydrobenzo[α]pyrene with MTPA has been used as a noncarcinogenic precursor to obtain the (+)and (-)-dihydrodiols by chromatographic resolution.1 It has also been used to develop empirically derived correlation of configuration and nmr chemical shifts for diastereomeric MTPA esters.2 |
| Melting point | 41-46 °C(lit.) |
Hazard statements
- H315Causes skin irritation
- H319Causes serious eye irritation
- H335May cause respiratory irritation
Precautionary statements
- P261Avoid breathing dust, fume, gas or vapours
- P305IF IN EYES
| Protective equipment | dust mask type N95 (US), Eyeshields, Gloves |
|---|---|
| Flash point | 113 °C / 235.4 °F |
| Water hazard class (WGK, DE) | 3 |
| Hazard codes (EU) | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26-36 |
Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.
Documentation
Every batch ships with a Certificate of Analysis covering assay, identity and purity; the grade is confirmed against your enquiry. Safety Data Sheets and technical data sheets are available on request.
Supply & logistics
Samples for technical evaluation; bulk MOQ by grade and packaging. In-stock material ships in 7–10 working days, worldwide, with full export documentation.
What is α-Methoxy-α-(trifluoromethyl)phenylacetic acid used for?
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α-Methoxy-α-(trifluoromethyl)phenylacetic acid is used as a building block in organic synthesis, particularly for chiral resolution via the formation of diastereomeric esters and in the development of NMR chemical shift correlations for stereochemical analysis.
What is the CAS number and formula for α-Methoxy-α-(trifluoromethyl)phenylacetic acid?
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The CAS number is 56135-03-6 and the linear formula is C6H5C(OCH3)(CF3)CO2H.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies this product with an assay of 97%. It is suitable for research and chemical synthesis purposes. We do not represent this product as USP, BP, EP, or other pharmacopoeia grades.
How should α-Methoxy-α-(trifluoromethyl)phenylacetic acid be handled?
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This compound is classified as a warning substance (GHS07) and is known to cause skin irritation (H315), serious eye irritation (H319), and respiratory irritation (H335). Always use with appropriate personal protective equipment, including a dust mask (N95 type), eyeshields, and gloves, in a well-ventilated area.
Is this chemical shipped internationally?
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Yes, Tech Serve Solutions is a specialist global supplier and exporter of fine chemicals, including α-Methoxy-α-(trifluoromethyl)phenylacetic acid.
How can I request a sample or quote?
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Please use the 'Request a Quote' or 'Request a Sample' button on our website, or contact our sales team directly with your requirements.
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