ChemicalBook--->CAS DataBase List--->58561-04-9

58561-04-9

58561-04-9 Structure

58561-04-9 Structure
IdentificationBack Directory
[Name]

BOC-VAL-OME
[CAS]

58561-04-9
[Synonyms]

BOC-VAL-OME
Boc-L-Val-OMe
BOC-VAL-OME USP/EP/BP
BOC VALINE METHYL ESTER
BOC-L-VALINE METHYL ESTER
(Tert-Butoxy)Carbonyl Val-OMe
Boc-L-valine methyl ester, 98%+
N-BOC-L-VALINE OME (METHYLESTER)
N-Boc-L-valine Methyl ester, 97%
N-tert-Butoxycarbonylvaline methyl este
N-t-butoxycarbonyl-L-valine Methyl ester
Methyl N-(tert-butoxycarbonyl)-L-valinate
N-(TERT-BUTOXYCARBONYL)-L-VALINE METHYL ESTER
L-Valine,N-[(1,1-diMethylethoxy)carbonyl]-, Methyl ester
(S)-methyl 2-(tert-butoxycarbonylamino)-3-methylbutanoate
methyl (2S)-2-{[(tert-butoxy)carbonyl]amino}-3-methylbutanoate
methyl(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
[Molecular Formula]

C11H21NO4
[MDL Number]

MFCD00672510
[MOL File]

58561-04-9.mol
[Molecular Weight]

231.29
Chemical PropertiesBack Directory
[Melting point ]

194℃
[Boiling point ]

194 °C(lit.)
[density ]

1.004 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.44(lit.)
[Fp ]

113 °C
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[form ]

Liquid
[pka]

11.13±0.46(Predicted)
[color ]

Colorless to Light yellow to Light orange
[Optical Rotation]

[α]20/D 22°, c = 1 in methanol
[Major Application]

peptide synthesis
[InChI]

1S/C11H21NO4/c1-7(2)8(9(13)15-6)12-10(14)16-11(3,4)5/h7-8H,1-6H3,(H,12,14)/t8-/m0/s1
[InChIKey]

XCJLIYKAMLUDGN-QMMMGPOBSA-N
[SMILES]

COC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C
Safety DataBack Directory
[WGK Germany ]

3
[HS Code ]

2924.19.8000
[Storage Class]

10 - Combustible liquids
Hazard InformationBack Directory
[Uses]

Boc-L-Val-OMe is an intermediate used in the asymmetric synthesis of isoxazoline and hydroxyketomethylene dipeptide isosteres via dipolar nitrile oxide cycloaddition. It is also used to prepare nonsymmetric dihydroxyethylene dipeptide isosteres via epoxyalcohols derived from α-amino acids.
[reaction suitability]

reaction type: solution phase peptide synthesis
Spectrum DetailBack Directory
[Spectrum Detail]

BOC-VAL-OME(58561-04-9)1HNMR
BOC-VAL-OME(58561-04-9)IR
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