ChemicalBook--->CAS DataBase List--->20445-31-2

20445-31-2

20445-31-2 Structure

20445-31-2 Structure
IdentificationMore
[Name]

(R)-(+)-alpha-Methoxy-alpha-trifluoromethylphenylacetic acid
[CAS]

20445-31-2
[Synonyms]

(+)-ALPHA-METHOXY-ALPHA-(TRIFLUOROMETHYL)PHENYLACETIC ACID
(+)-A-METHOXY-A-TRIFLUOROMETHYLPHENYLACETIC ACID
(+)-MOSHER'S ACID
MOSHERS ACID
(+)-MTPA
(R)-(+)-1-METHOXY-1-(TRIFLUOROMETHYL)PHENYLACETIC ACID
(R)-(+)-2-METHOXY-2-(TRIFLUOROMETHYL)PHENYLACETIC ACID
(R)-(+)-ALPHA-METHOXY-ALPHA-(TRIFLUOROMETHYL)PHENYLACETIC ACID
(R)-(+)-A-METHOXY-A-(TRIFLUOROMETHYL)PHENYLACETIC ACID
(R)-(+)-MOSHER'S ACID
(R)-(+)-MPTA
(R)-(+)-α-Methoxy-α-trifluoromethylphenylacetic acid
(R)-(+)-1-Methoxy-1-(trifluoromethyl)phenylaceticacid(ee)
(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%
[EINECS(EC#)]

243-829-5
[Molecular Formula]

C10H9F3O3
[MDL Number]

MFCD00004184
[Molecular Weight]

234.17
[MOL File]

20445-31-2.mol
Chemical PropertiesBack Directory
[Appearance]

white crystalline low melting solid
[Melting point ]

46-49 °C(lit.)
[alpha ]

D25 +68.5 ± 1.3° (c = 1.49 in CH3OH)
[Boiling point ]

105-107 °C1 mm Hg(lit.)
[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).
[form ]

Crystalline Low Melting Solid
[pka]

1.47±0.10(Predicted)
[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 DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[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
Hazard InformationBack Directory
[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.]
Spectrum DetailBack Directory
[Spectrum Detail]

(R)-(+)-alpha-Methoxy-alpha-trifluoromethylphenylacetic acid(20445-31-2)1HNMR
(R)-(+)-alpha-Methoxy-alpha-trifluoromethylphenylacetic acid(20445-31-2)FT-IR
(R)-(+)-alpha-Methoxy-alpha-trifluoromethylphenylacetic acid(20445-31-2)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

(R)-(+)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetic acid, 99%(e.e.>99.5%)(20445-31-2)
[Alfa Aesar]

(R)-(+)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetic acid, 99%(20445-31-2)
[Sigma Aldrich]

20445-31-2(sigmaaldrich)
[TCI AMERICA]

(R)-(+)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetic Acid  [Optical Resolving],>98.0%(GC)(T)(20445-31-2)
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