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L-tert-Leucine

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Name

L-tert-Leucine

EINECS 200-522-0
CAS No. 20859-02-3 Density 1.038 g/cm3
PSA 63.32000 LogP 1.14470
Solubility 125.5 g/L (20 °C) in water Melting Point 300 °C
Formula C6H13NO2 Boiling Point 217.7 °C at 760 mmHg
Molecular Weight 131.175 Flash Point 85.5 °C
Transport Information N/A Appearance white to almost white powder
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 20859-02-3 (L-tert-Leucine) Hazard Symbols IrritantXi
Synonyms

H-Tle-OH;L-tert-Leu-OH;L-tert·Leucine;L-Valine, 3-methyl-;L-tert Leucine;L-tert-Leucine(L-2-Amino-3,3-dimethylbutanoic acid);(s)-2-amino-3,3-dimethylbutanoic acid;

Article Data 57

L-tert-Leucine Synthetic route

L-tert-leucine·3,4-dimethylbenzenesulfonate

A

20859-02-3

L-tert-Leucine

B

618-01-9

3,4-dimethylbenzenesulfonic acid

Conditions
ConditionsYield
In water at 30 - 45℃; Product distribution / selectivity;A 96.5%
B 100%

3,3-dimethyl-2-oxobutanoate

20859-02-3

L-tert-Leucine

Conditions
ConditionsYield
With glutamate at 37℃; for 0.5h; pH=8; Kinetics; Reagent/catalyst; aq. phosphate buffer; Enzymatic reaction; optical yield given as %ee;100%
319930-78-4

(R)-2-amino-3,3-dimethyl-butyric acid amide

71-36-3

butan-1-ol

20859-02-3

L-tert-Leucine

Conditions
ConditionsYield
98%
62965-35-9

N-tert-butyloxycarbonyl-L-tert-leucine

20859-02-3

L-tert-Leucine

Conditions
ConditionsYield
With hydrogenchloride In 1,4-dioxane97%
Stage #1: N-tert-butyloxycarbonyl-L-tert-leucine With methanesulfonic acid In dichloromethane at 25℃; for 3h;
Stage #2: With triethylamine In dichloromethane at 25℃; for 1h;
75%
With hydrogenchloride In water; toluene at 60℃; for 3h;
202347-81-7

(3S,5S)-3-tert-Butyl-5-phenyl-morpholin-2-one

20859-02-3

L-tert-Leucine

Conditions
ConditionsYield
With hydrogen; trifluoroacetic acid; palladium dihydroxide In methanol; water under 3750.3 Torr; for 24h;95%

3,3-dimethyl-2-oxobutanoate

618-36-0

rac-methylbenzylamine

A

20859-02-3

L-tert-Leucine

B

98-86-2

acetophenone

Conditions
ConditionsYield
With pyridoxal 5'-phosphate; (S)-selective ω-transaminase from Paracoccus denitrificans; branched-chain aminoacid transaminase; 2-aminobutanoic acid In aq. phosphate buffer; hexane for 61h; pH=7; Kinetics; Solvent; Reagent/catalyst; Enzymatic reaction; enantioselective reaction;A 94%
B n/a
319930-78-4

(R)-2-amino-3,3-dimethyl-butyric acid amide

20859-02-3

L-tert-Leucine

Conditions
ConditionsYield
92%

α-ureido-tert-leucine

20859-02-3

L-tert-Leucine

Conditions
ConditionsYield
With hydrogenchloride; sodium nitrite In water at 40℃; for 11.75h;90.6%
62965-57-5

(S)-(+)-2-amino-3,3-dimethylbutanamide

20859-02-3

L-tert-Leucine

Conditions
ConditionsYield
With hydrogenchloride at 100℃; for 24h;86%
With hydrogenchloride at 100℃;76%
815-17-8

trimethylpyruvic acid

20859-02-3

L-tert-Leucine

Conditions
ConditionsYield
With ammonium hydroxide; D-glucose; ammonium chloride; sodium hydroxide In water for 5.5h; pH=8.3; Time; Reagent/catalyst; Enzymatic reaction; stereoselective reaction;80%
With L-ornithine; L-glutamic acid; Bacillus subtilis ornithine aminotransferase; Escherichia coli branched-chain amino acid aminotransferase; sodium hydroxide In aq. phosphate buffer at 37℃; for 16h; pH=8.5; Reagent/catalyst; Concentration; Time; Enzymatic reaction;73%
With L-valine; leucine dehydrogenase; pyridoxal 5'-phosphate; alcohol dehydrogenases from Bacillus stearothermophilus; branched-chain amino acid aminotransferase; NADH In isopropyl alcohol at 35℃; for 9h; pH=8; Reagent/catalyst; Enzymatic reaction; enantioselective reaction;68.7%

L-tert-Leucine Chemical Properties

Molecule structure of L-tert-Leucine (CAS NO.20859-02-3):

IUPAC Name: 2-Amino-3,3-dimethylbutanoic acid 
Molecular Weight: 131.17292 g/mol
Molecular Formula: C6H13NO2
Density: 1.038 g/cm3 
Melting Point: 300 °C
Boiling Point: 217.7 °C at 760 mmHg 
Flash Point: 85.5 °C
Index of Refraction: 1.464
Molar Refractivity: 34.87 cm3
Molar Volume: 126.3 cm3
Surface Tension: 38.2 dyne/cm 
Enthalpy of Vaporization: 50.03 kJ/mol
Vapour Pressure: 0.0499 mmHg at 25 °C 
Storage Temp.: store at RT.
Water Solubility: 125.5 g/L (20 °C)
XLogP3: -1.8
H-Bond Donor: 2
H-Bond Acceptor: 3
Rotatable Bond Count: 2
Exact Mass: 131.094629
MonoIsotopic Mass: 131.094629
Topological Polar Surface Area: 63.3
Heavy Atom Count: 9
Canonical SMILES: CC(C)(C)C(C(=O)O)N
InChI: InChI=1S/C6H13NO2/c1-6(2,3)4(7)5(8)9/h4H,7H2,1-3H3,(H,8,9)
InChIKey: NPDBDJFLKKQMCM-UHFFFAOYSA-N
EINECS: 200-522-0
Product Categories: Amino acids, non natural; Chiral Compounds; API intermediates; PROTECTED AMINO ACID & PEPTIDES; Amino Acids; Leucine [Leu, L]; API; Peptide

L-tert-Leucine Uses

 L-tert-Leucine (CAS NO.20859-02-3) is used as nutrient supplement and animal feed additives. It is also used for drug synthetic.

L-tert-Leucine Safety Profile

Hazard Codes: IrritantXi
Safety Statements: 22-24/25 
S22:Do not breathe dust. 
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3
RTECS: OH2850000
Hazard Note: Irritant 

L-tert-Leucine Specification

 L-tert-Leucine (CAS NO.20859-02-3) is also named as (2S)-2-Amino-3,3-Dimethylbutanoic Acid ; (S)-2-Amino-3,3-dimethylbutanoic acid ; (S)-2-Amino-4-methylpentanoic acid ; 3-Methyl-L-valin ; 3-Methyl-L-valine . L-tert-Leucine (CAS NO.20859-02-3) is white to almost white powder.

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