Introduction：Basic information about (R)-(+)-alpha-Methoxy-alpha-trifluoromethylphenylacetic acid CAS 20445-31-2, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
(R)-(+)-alpha-Methoxy-alpha-trifluoromethylphenylacetic acid Basic information
| Product Name: | (R)-(+)-alpha-Methoxy-alpha-trifluoromethylphenylacetic acid |
| Synonyms: | (R)-(+)-MTPA,(R)-(+)-Mosher'sacid;(R)-(+)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetic acid, 99%(e.e.>99.5%);(+)--Methoxy--(trifluoromethyl)phenylaceticacid(Moshersacid);(r)-(+)-à-methoxy-à-(trifluoromethyl)phenylacetic acid;(R)-(+)-1-Methoxy-1-(trifluoromethyl)phenylacetic acid 99% (99%ee);(R)-(+)-1-Methoxy-1-(trifluoromethyl)phenylacetic acid (99%ee);(R)-(+)-ɑ-Methoxy-ɑ-(trifluoromethyl)phenylacetic acid, 99%;(R)-(+)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetic Acid [Optical Resolving] |
| CAS: | 20445-31-2 |
| MF: | C10H9F3O3 |
| MW: | 234.17 |
| EINECS: | 243-829-5 |
| Product Categories: | Analytical Chemistry;e.e. / Absolute Configuration Determination (NMR);Enantiomer Excess & Absolute Configuration Determination |
| Mol File: | 20445-31-2.mol |
|
(R)-(+)-alpha-Methoxy-alpha-trifluoromethylphenylacetic acid Chemical Properties
| Melting point | 46-49 °C(lit.) |
| Boiling point | 105-107 °C1 mm Hg(lit.) |
| alpha | D25 +68.5 ± 1.3° (c = 1.49 in CH3OH) |
| density | 1.344 g/mL at 25 °C(lit.) |
| refractive index | n20/D 1.473(lit.) |
| Fp | >230 °F |
| storage temp. | 2-8°C |
| solubility | Soluble in methanol (50 mg/ 1 ml). |
| pka | 1.47±0.10(Predicted) |
| form | Crystalline Low Melting Solid |
| color | White |
| Specific Gravity | 1.344 |
| Optical Rotation | [α]20/D +73±1°, c = 2% in methanol |
| Sensitive | Hygroscopic |
| Merck | 14,6280 |
| BRN | 2215440 |
| InChI | 1S/C10H9F3O3/c1-16-9(8(14)15,10(11,12)13)7-5-3-2-4-6-7/h2-6H,1H3,(H,14,15)/t9-/m1/s1 |
| InChIKey | JJYKJUXBWFATTE-SECBINFHSA-N |
| SMILES | CO[C@@](C(O)=O)(c1ccccc1)C(F)(F)F |
| CAS DataBase Reference | 20445-31-2(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36 |
| WGK Germany | 3 |
| F | 3-10 |
| Hazard Note | Irritant/Keep Cold |
| HazardClass | IRRITANT, HYGROSCOPIC, KEEP COLD |
| HS Code | 29189900 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
(R)-(+)-alpha-Methoxy-alpha-trifluoromethylphenylacetic acid Usage And Synthesis
| Chemical Properties | white crystalline low melting solid |
| Uses | (R)-(+)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetic acid is widely used reagent for determination of optical purities of alcohols and amines by 1H or 19F NMR. |
| Uses | Mosher′s acid chloride is used as a dervatization agent for β-arylethylamines, enantiomeric alcohols, and enantiomeric amines. It is also a reagent used for the determination of enantiomeric purity and absolute configuration of alcohols and amines by NMR. |
| General Description | Mosher′s acid chloride is generally used as a chiral derivatizing agent. It is easily available in enantiomerically pure form. It can form diastereomers with both alcohols and amines. |
| Purification Methods | A likely impurity is phenylethylamine from the resolution. Dissolve the acid in Et2O/*benzene (3:1), wash with 0.5N H2SO4, then water, dry over magnesium sulfate, filter, evaporate and distil it. [Dale et al. J Org Chem 34 2543 1969, J Am Chem Soc 75 512 1973.] |
(R)-(+)-alpha-Methoxy-alpha-trifluoromethylphenylacetic acid Preparation Products And Raw materials
| Preparation Products | (+)-ALPHA-METHOXY-ALPHA-(TRIFLUOROMETHYL)PHENYLACETIC ANHYDRIDE |
