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| CAS No.: | 20859-02-3 |
|---|---|
| Name: | L-tert-Leucine |
| Article Data: | 57 |
| Molecular Structure: | |
|
|
|
| Formula: | C6H13NO2 |
| Molecular Weight: | 131.175 |
| 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; |
| EINECS: | 200-522-0 |
| Density: | 1.038 g/cm3 |
| Melting Point: | 300 °C |
| Boiling Point: | 217.7 °C at 760 mmHg |
| Flash Point: | 85.5 °C |
| Solubility: | 125.5 g/L (20 °C) in water |
| Appearance: | white to almost white powder |
| Hazard Symbols: |
 Xi
|
| Safety: | 22-24/25 |
| PSA: | 63.32000 |
| LogP: | 1.14470 |
A
L-tert-Leucine
B
3,4-dimethylbenzenesulfonic acid
| Conditions | Yield |
|---|---|
| In water at 30 - 45℃; Product distribution / selectivity; | A 96.5% B 100% |
L-tert-Leucine
| Conditions | Yield |
|---|---|
| With glutamate at 37℃; for 0.5h; pH=8; Kinetics; Reagent/catalyst; aq. phosphate buffer; Enzymatic reaction; optical yield given as %ee; | 100% |
| Conditions | Yield |
|---|---|
| 98% |
N-tert-butyloxycarbonyl-L-tert-leucine
L-tert-Leucine
| Conditions | Yield |
|---|---|
| With hydrogenchloride In 1,4-dioxane | 97% |
| 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; |
(3S,5S)-3-tert-Butyl-5-phenyl-morpholin-2-one
L-tert-Leucine
| Conditions | Yield |
|---|---|
| With hydrogen; trifluoroacetic acid; palladium dihydroxide In methanol; water under 3750.3 Torr; for 24h; | 95% |
| Conditions | Yield |
|---|---|
| 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 |
(R)-2-amino-3,3-dimethyl-butyric acid amide
L-tert-Leucine
| Conditions | Yield |
|---|---|
| 92% |
L-tert-Leucine
| Conditions | Yield |
|---|---|
| With hydrogenchloride; sodium nitrite In water at 40℃; for 11.75h; | 90.6% |
(S)-(+)-2-amino-3,3-dimethylbutanamide
L-tert-Leucine
| Conditions | Yield |
|---|---|
| With hydrogenchloride at 100℃; for 24h; | 86% |
| With hydrogenchloride at 100℃; | 76% |
trimethylpyruvic acid
L-tert-Leucine
| Conditions | Yield |
|---|---|
| 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% |
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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 (CAS NO.20859-02-3) is used as nutrient supplement and animal feed additives. It is also used for drug synthetic.
Hazard Codes: 
Xi
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 (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.
