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ChemicalBook--->CAS DataBase List--->45170-31-8

45170-31-8

45170-31-8 Structure

45170-31-8 Structure
IdentificationMore
[Name]

Boc-N-methyl-L-valine
[CAS]

45170-31-8
[Synonyms]

BOC-L-MEVAL-OH
BOC-MEVAL-OH
BOC-N-ALPHA-METHYL-L-VALINE
BOC-N-METHYL-L-VALINE
BOC-N-METHYL-L-VAL-OH
BOC-N-ME-VALINE
BOC-N-ME-VAL-OH
N-ALPHA-T-BOC-N-ALPHA-METHYL-L-VALINE
N-ALPHA-T-BUTOXYCARBONYL-N-ALPHA-METHYL-L-VALINE
N-ALPHA-T-BUTYLOXYCARBONYL-N-ALPHA-METHYL-L-VALINE
N-ALPHA-TERT-BUTYLOXYCARBONYL-N-ALPHA-METHYL-L-VALINE
N-BOC-N-METHYL-(L)-VALINE
N-ALPHA-TERT-BUTYLOXYCABONYL-N-ALPHA-METHYL-L-VALINE
NALPHA-tert-Butoxycarbonyl-N-methyl-L-valine
N-[(tert-Butoxy)carbonyl]-N-methyl-L-valine
[Molecular Formula]

C11H21NO4
[MDL Number]

MFCD00038760
[Molecular Weight]

231.29
[MOL File]

45170-31-8.mol
Chemical PropertiesBack Directory
[Melting point ]

45-60°C
[alpha ]

-94 º (c=0.5% in ethanol)
[Boiling point ]

322.4±21.0 °C(Predicted)
[density ]

1.069±0.06 g/cm3(Predicted)
[storage temp. ]

Store at RT.
[solubility ]

Chloroform (Slightly), Ethanol (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

4.03±0.10(Predicted)
[color ]

Off-White
[optical activity]

[α]20/D 94±3°, c = 0.5% in ethanol
[BRN ]

2646180
[InChI]

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

XPUAXAVJMJDPDH-QMMMGPOBSA-N
[SMILES]

C(O)(=O)[C@H](C(C)C)N(C(OC(C)(C)C)=O)C
[CAS DataBase Reference]

45170-31-8(CAS DataBase Reference)
Safety DataBack Directory
[WGK Germany ]

3
[HazardClass ]

IRRITANT
[HS Code ]

29225090
Hazard InformationBack Directory
[Chemical Properties]

White powder
[Uses]

N-Boc-N-methyl-L-valine is an amino acid derived compound that functions as a useful pharmaceutical intermediate and also employed as a reagent used in organic synthesis. It is used in the synthesis of lactam analog of actinomycin D, a potential antitumor chemotherapeutic agent.
[Synthesis]

To a solution of N-BOC-valine 1 (217 mg, 1 mmol) and iodomethane(1.42 g, 10 mmol) in anhydrous tetrahydrofuran (THF,20 mL) was added neat sodium hydride (240 mg, 10 mmol). The reaction mixture was stirred at room temperature for 24 hours. The mixture was then quenched with water (30 mL). The reaction mixture was extracted with ethyl acetate (EtOAc, 2 15 mL) and the aqueous solution was acidified to pH 3, after which it was extracted with EtOAc (3 20 mL). The combined organic phase was dried over anhydrous Na2SO4 and evaporated to afford the corresponding Boc-N-Me-Val-OH (thick colorless oil), 99% yield.
Boc-N-Me-Val-OH
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

45170-31-8(sigmaaldrich)
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