CAS No.20859-02-3,L-tert-Leucine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	20859-02-3
Name:	L-tert-Leucine
Article Data:	57

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

Synthetic route

: L-tert-leucine·3,4-dimethylbenzenesulfonate

A: 20859-02-3
L-tert-Leucine

B: 618-01-9
3,4-dimethylbenzenesulfonic acid

Conditions

Conditions	Yield
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

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%

: 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

Conditions	Yield
	98%

: 62965-35-9
N-tert-butyloxycarbonyl-L-tert-leucine

: 20859-02-3
L-tert-Leucine

Conditions

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;

: 202347-81-7
(3S,5S)-3-tert-Butyl-5-phenyl-morpholin-2-one

: 20859-02-3
L-tert-Leucine

Conditions

Conditions	Yield
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

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

...Expand

: 319930-78-4
(R)-2-amino-3,3-dimethyl-butyric acid amide

: 20859-02-3
L-tert-Leucine

Conditions

Conditions	Yield
	92%

: α-ureido-tert-leucine

: 20859-02-3
L-tert-Leucine

Conditions

Conditions	Yield
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

Conditions	Yield
With hydrogenchloride at 100℃; for 24h;	86%
With hydrogenchloride at 100℃;	76%

: 815-17-8
trimethylpyruvic acid

: 20859-02-3
L-tert-Leucine

Conditions

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%

Raw Materials

630-19-3

Downstream Products

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Chemistry

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

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.

Safety Profile

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

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.