CAS 17257-71-5|CAS 20445-31-2|CAS 81655-41-6|CAS 56135-03-6|(±)-α-Methoxy-α-trifluoromethylphenylacetic acid|3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid|mosher's acid|α-Meth...

General Information

Structure

Molecular Formula

C₁₀H₉F₃O₃

Molecular Mass

234.1718696

Exact Mass

234.05037881

Charge

InChI

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)

InChIKey

JJYKJUXBWFATTE-UHFFFAOYSA-N

Canonic Smiles

COC(C(F)(F)F)(c1ccccc1)C(=O)O

Isomeric Smiles

c1cccc(c1)C(C(=O)O)(C(F)(F)F)OC

Calculated Properties

JChem

Acid pKa

3.3649635

H Acceptors

H Donor

LogD (pH = 5.5)

0.44897783

LogD (pH = 7.4)

-0.84149176

Log P

2.5700164

Molar Refractivity

48.8698

Polarizability

18.41779

Polar Surface Area

46.53

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid

Synonyms

(±)-α-Methoxy-α-trifluoromethylphenylacetic acid(+)-MTPAMosher 酸(R)-(+)-α-甲氧基-α-三氟甲基苯乙酸α-甲氧基-α-(三氟甲基)苯乙酸Mosher’s acid(S)-(-)-α-Methoxy-α-(trifluoromethyl)phenylacetic acidα-Methoxy-α-(trifluoromethyl)phenylacetic acid(R)-(+)-α-Methoxy-α-trifluoromethylphenylacetic acid(-)-MTPA(S)-(-)-α-甲氧基-α-(三氟甲基)苯乙酸MTPA(+/-)-1-Methoxy-1-(trifluoromethyl)phenylacetic acid 98%Mosher's acidMethoxy(trifluoromethyl)phenylacetic acid(S)-(-)-α-Methoxy-α-trifluoromethylphenylacetic acidMosher′s acid(+)-α-METHOXY-α-TRIFLUOROMETHYLPHENYL-ACETIC ACID(S)-(-)-α-甲氧基-α-三氟甲基苯乙酸(±)-α-Methoxy-α-trifluoromethylphenylacetic acid(±)-α-甲氧基-α-三氟甲基苯乙酸[+]-MTPA(±)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetic acid(+/-)-Mosher's acid(+/-)-a-甲氧基-α-(三氟甲基)苯乙酸(+/-)-MTPA

IUPAC Traditional name

mosher's acid (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid

Names and Identifiers

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

([+]-MTPA)

155616

Application
Derivatizing reagent for determination of enantiomeric excess by NMR.1,2
Packaging
1 g in glass bottle

155268

Application
Derivatizing reagent for determination of enantiomeric excess by NMR.1,2
Other Notes
doi:10.1038/nprot.2007.354
Packaging
1, 5 g in glass bottle
250 mg in glass bottle

156558

Packaging
1, 5 g in glass bottle

318035

Other Notes
doi:10.1038/nprot.2007.354
Packaging
1 g in glass bottle
250 mg in glass bottle

65361

Application
Reagent used for the determination of the enantiomeric purity and the absolute configuration of alcohols and amines by NMR1,2; doi:10.1038/nprot.2007.3543; Review4

65369

Application
Determination of absolute configuration of stereogenic carbinol carbons; doi:10.1038/nprot.2007.3541

Molecule Details

References

PubChem Literature

No Data Available

Click here to submit data

References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

IUPAC name

3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid

Synonyms

IUPAC Traditional name

mosher's acid (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid

Molecule Details

([+]-MTPA)

155616

Application
Derivatizing reagent for determination of enantiomeric excess by NMR.1,2
Packaging
1 g in glass bottle

155268

Application
Derivatizing reagent for determination of enantiomeric excess by NMR.1,2
Other Notes
doi:10.1038/nprot.2007.354
Packaging
1, 5 g in glass bottle
250 mg in glass bottle

156558

Packaging
1, 5 g in glass bottle

318035

Other Notes
doi:10.1038/nprot.2007.354
Packaging
1 g in glass bottle
250 mg in glass bottle

65361

Application
Reagent used for the determination of the enantiomeric purity and the absolute configuration of alcohols and amines by NMR1,2; doi:10.1038/nprot.2007.3543; Review4

65369

Application
Determination of absolute configuration of stereogenic carbinol carbons; doi:10.1038/nprot.2007.3541

References

PubChem Literature

No Data Available

Click here to submit data

Bioactivity

PubChem BioAssay

Properties

Molecule

ID:10382