ChemicalBook--->CAS DataBase List--->33105-81-6

33105-81-6

33105-81-6 Structure

33105-81-6 Structure
IdentificationMore
[Name]

DL-tert-Leucine
[CAS]

33105-81-6
[Synonyms]

2-AMINO-3,3-DIMETHYLBUTANOIC ACID
(+/-)-2-AMINO-3,3-DIMETHYLBUTYRIC ACID
2-AMINO-3,3-DIMETHYL BUTYRIC ACID
3-METHYL-L-VALINE
3-METHYL VALINE
DL-ALPHA-T-BUTYLGLYCINE
DL-ALPHA-T-BUTYL-GLY-OH
DL-ALPHA-TERT-BUTYLGLYCINE
DL-T-BUTYLGLYCINE
DL-TERT-BUTYLGLYCINE
DL-TERT-LEUCINE
DL-T-LEUCINE
H-ALPHA-T-BUTYLGLYCINE
H-ALPHA-T-BUTYLGLYCINE-OH
H-DL-(TBU)GLY-OH
H-DL-TLE-OH
H-L-TLE-OH
H-TBU-DL-GLY-OH
H-TBU-GLY-OH
H-TLE-OH
[EINECS(EC#)]

608-831-6
[Molecular Formula]

C6H13NO2
[MDL Number]

MFCD00065933
[Molecular Weight]

131.17
[MOL File]

33105-81-6.mol
Chemical PropertiesBack Directory
[Appearance]

white powder
[Melting point ]

>300 °C (lit.)
[Boiling point ]

242.49°C (rough estimate)
[density ]

1.0975 (rough estimate)
[refractive index ]

1.4240 (estimate)
[storage temp. ]

Store at RT.
[solubility ]

H2O: 0.1 g/mL, clear, colorless
[form ]

Solid
[pka]

2.39±0.12(Predicted)
[color ]

White to off-white
[Water Solubility ]

soluble
[BRN ]

1721823
[Major Application]

peptide synthesis
[InChI]

InChI=1S/C6H13NO2/c1-6(2,3)4(7)5(8)9/h4H,7H2,1-3H3,(H,8,9)
[InChIKey]

NPDBDJFLKKQMCM-UHFFFAOYSA-N
[SMILES]

C(O)(=O)C(C(C)(C)C)N
[CAS DataBase Reference]

33105-81-6(CAS DataBase Reference)
Safety DataBack Directory
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[HS Code ]

29224985
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Butanoic acid, 2-chloro-3,3-dimethyl--->D-tert-Butylglycine
[Preparation Products]

(R)-TERT-LEUCINOL-->D-tert-Butylglycine-->2-(carbamoylamino)-3,3-dimethylbutanoic acid
Hazard InformationBack Directory
[Chemical Properties]

white powder
[Uses]

peptide synthesis
[Definition]

ChEBI: Tert-butylglycine is a glycine derivative that is glycine with a tertiary butyl group at position 2. It has a role as a metabolite.
[reaction suitability]

reaction type: solution phase peptide synthesis
[Synthesis]

D-tert-Butylglycine

26782-71-8

DL-tert-Leucine

33105-81-6

The general procedure for synthesizing DL-tert-leucine from D-tert-leucine is as follows: Example 3A: A 30% ammonium hydroxide solution (50 mL) was added to the autoclave, followed by D-tert-leucine (5 g). The autoclave was sealed and the mixture was heated to 85°C under stirring conditions and maintained at this temperature for 12 hours of reaction. Upon completion of the reaction, the reaction mixture was cooled and the solution was transferred to a rotary evaporator and concentrated under vacuum at 55 °C. The solid residue obtained after concentration was mixed with acetone (20 mL) with stirring, followed by filtration and drying to finally obtain DL-tert-leucine (4.6 g, 92% yield, of which the L-isomer accounted for 42% and the D-isomer for 58%).

[References]

[1] Patent: US2012/245379, 2012, A1. Location in patent: Page/Page column 3
[2] Patent: EP2502896, 2012, A1. Location in patent: Page/Page column 4-5
Spectrum DetailBack Directory
[Spectrum Detail]

DL-tert-Leucine(33105-81-6)MS
DL-tert-Leucine(33105-81-6)1HNMR
DL-tert-Leucine(33105-81-6)IR1
DL-tert-Leucine(33105-81-6)IR2
DL-tert-Leucine(33105-81-6)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

DL-tert-Butylglycine, 99%(33105-81-6)
[Sigma Aldrich]

33105-81-6(sigmaaldrich)
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