L-tert-Leucine supplier | CasNO.20859-02-3

Name
L-tert-Leucine
EINECS 200-522-0
CAS No. 20859-02-3
Article Data57
CAS DataBase
Density 1.038 g/cm³
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
Appearance white to almost white powder
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols Xi
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;
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%

: C14H21NO3

: 20859-02-3
L-tert-Leucine

Conditions

Conditions	Yield
With palladium 10% on activated carbon In methanol at 50℃; for 12h; Inert atmosphere;	80%

: 145058-02-2
(S)-2-<(R)-2-hydroxy-1-phenylethylamino>-3,3-dimethylbutanoic acid

: 20859-02-3
L-tert-Leucine

Conditions

Conditions	Yield
With formic acid; palladium In methanol; water Ambient temperature;	76%

: 162377-68-6
(S)-2-benzoylamino-3,3-dimethylbutyric acid

: 20859-02-3
L-tert-Leucine

Conditions

Conditions	Yield
With hydrogenchloride; Amberlite IRA-67 1.) propan-2-ol, 70 deg C, 15 h; 2.) water, 15 h;	74%
With potassium hydroxide In methanol; water; acetone

: 126402-95-7
L-tert-leucine tert-butylamide hydrochloride

: 20859-02-3
L-tert-Leucine

Conditions

Conditions	Yield
With hydrogenchloride at 80℃; for 24h;	70%

: 528819-01-4
N-[(1R)-2,2-dimethyl-1-phenylpropyl]-2,2,2-trifluoroacetamide

: 20859-02-3
L-tert-Leucine

Conditions

Conditions	Yield
Stage #1: N-[(1R)-2,2-dimethyl-1-phenylpropyl]-2,2,2-trifluoroacetamide With ruthenium trichloride; sodium periodate In tetrachloromethane; water; acetonitrile at 20℃; for 24h; Sharpless oxidation; Stage #2: With sodium hydroxide In methanol at 20℃; for 16h;	68%

: 1340309-12-7
N-succinyl-DL-tert-leucine

: 20859-02-3
L-tert-Leucine

Conditions

Conditions	Yield
	45%
CoCl2

: (S)-2-amino-3,3-dimethylbutanamide hydrochloride

: 20859-02-3
L-tert-Leucine

Conditions

Conditions	Yield
With sodium hydroxide; manganese(ll) chloride; leucine aminopeptidase In water at 37℃; for 40h;	35%

: 62965-57-5, 113582-42-6, 144177-62-8
(±)-2-amino-3,3-dimethylbutanamide

: 20859-02-3
L-tert-Leucine

Conditions

Conditions	Yield
mit Hilfe eines Enzym-Praeparats aus Schweine-Nieren;
Multi-step reaction with 3 steps 1: chlorocarbonic acid benzyl ester 2: amidase-substance from pig's kidney 3: palladium; methanol; acetic acid / Hydrogenation View Scheme

: 92571-61-4
L-2-formylamino-3,3-dimethyl-butyric acid

: 20859-02-3
L-tert-Leucine

Conditions

Conditions	Yield
With hydrogen bromide

: 62965-10-0
(S)-N-carbobenzoxy-tert-butylleucine

: 20859-02-3
L-tert-Leucine

Conditions

Conditions	Yield
With methanol; palladium; acetic acid Hydrogenation;
(hydrogenolysis);

: 3850-31-5
methyl tert-leucinate

: 20859-02-3
L-tert-Leucine

Conditions

Conditions	Yield
(i) liq. NH3, (ii) (racemate resolution using D-tartaric acid), (iii) aq. HCl; Multistep reaction;

: 63038-26-6
(S)-2-amino-3,3-dimethyl-butyric acid methyl ester

: 20859-02-3
L-tert-Leucine

Conditions

Conditions	Yield
With hydrogenchloride

: 22146-59-4
(S)-2-acetylamino-3,3-dimethylbutyric acid

: 20859-02-3
L-tert-Leucine

Conditions

Conditions	Yield
With hydrogenchloride In ethanol

: (S)-2-[(S)-3,3-Dimethyl-2-(2,2,2-trifluoro-acetylamino)-butyrylamino]-pentanedioic acid dimethyl ester

: 20859-02-3
L-tert-Leucine

Conditions

Conditions	Yield
With hydrogenchloride

: 38559-30-7
3,3-dimethyl-2-oxo-butanoic acid phenyhydrazone

: 20859-02-3
L-tert-Leucine

Conditions

Conditions	Yield
hydrogenation; Yield given;

: 111525-71-4
(S)-α-azido-3,3-dimethyl butanoic acid

: 20859-02-3
L-tert-Leucine

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal In ethyl acetate under 760 Torr; for 13h; Yield given;

: C10H22N2O*H(1+)

: 20859-02-3
L-tert-Leucine

Conditions

Conditions	Yield
With hydrogenchloride; Amberlite IR-120 1.) 80 deg C; Yield given. Multistep reaction;

: 121703-98-8
chloroacetyl-D,L-tert-leucine

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

B: 121703-98-8
(R)-2-(2-Chloro-acetylamino)-3,3-dimethyl-butyric acid

Conditions

Conditions	Yield
With potassium hydroxide; potassium phosphate buffer; porcine kidney acylase I at 40℃; relative initial rate of hydrolysis, also with Aspergillus acylase I as a catalyst; with or without CoCl2;

: 4-Methyl-benzenesulfinic acid (1-cyano-2,2-dimethyl-propyl)-amide

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

B: 26782-71-8
D-tert-leucine

Conditions

Conditions	Yield
With hydrogenchloride Yield given. Yields of byproduct given. Title compound not separated from byproducts;

: (R)-3,3-Dimethyl-2-(2-oxo-4-phenyl-oxazolidin-3-yl)-butyric acid

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

B: 26782-71-8
D-tert-leucine

Conditions

Conditions	Yield
With ammonia; lithium In tetrahydrofuran; tert-butyl alcohol at -78℃; for 0.5h; Yield given. Title compound not separated from byproducts;

: 20859-02-3
L-tert-Leucine

: 501-53-1
benzyl chloroformate

: 62965-10-0
(S)-N-carbobenzoxy-tert-butylleucine

Conditions

Conditions	Yield
With sodium hydroxide In 1,4-dioxane at 0℃; for 18h;	100%
With sodium hydroxide In water for 3h; Inert atmosphere;	100%
With sodium hydroxide In water at 5 - 20℃; for 14h; pH=10 - 10.5; Product distribution / selectivity;	97%

: 67-56-1
methanol

: 20859-02-3
L-tert-Leucine

: 63038-27-7
L-tert-leucine methyl ester hydrochloride

Conditions

Conditions	Yield
With thionyl chloride at 0 - 20℃;	100%
With thionyl chloride for 16h; Reflux;	100%
With hydrogenchloride Ambient temperature;	98%

: 20859-02-3
L-tert-Leucine

: 112245-13-3
(S)-tert-leucinol

Conditions

Conditions	Yield
With sodium tetrahydroborate; iodine In tetrahydrofuran for 24h; Heating;	100%
Stage #1: L-tert-Leucine With iodine In tetrahydrofuran for 24h; Reflux; Stage #2: With methanol Stage #3: With potassium hydroxide In water	100%
With sodium tetrahydroborate; iodine In tetrahydrofuran at 0 - 80℃; for 22h; Inert atmosphere;	100%

: 20859-02-3
L-tert-Leucine

: 24424-99-5
di-tert-butyl dicarbonate

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

Conditions

Conditions	Yield
With triethylamine In methanol at 0 - 5℃;	100%
With triethylamine In methanol at 0 - 5℃;	100%
With sodium hydroxide In 1,4-dioxane at 20℃; for 12h;	100%

: 20859-02-3
L-tert-Leucine

: 79-22-1
methyl chloroformate

: 162537-11-3
(S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoic acid

Conditions

Conditions	Yield
With sodium hydroxide In 1,4-dioxane; water at 60℃; for 18h; pH=8 - 9;	100%
With sodium hydroxide In 1,4-dioxane; water at 25 - 60℃; for 22h;	98%
Stage #1: L-tert-Leucine; methyl chloroformate With sodium hydroxide In 1,4-dioxane; water at 25 - 60℃; for 22h; Stage #2: With hydrogenchloride In water	98%

: 13139-17-8
N-(Benzyloxycarbonyloxy)succinimide

: 20859-02-3
L-tert-Leucine

: 62965-10-0
(S)-N-carbobenzoxy-tert-butylleucine

Conditions

Conditions	Yield
With triethylamine In methanol at 20℃; for 14h;	100%

: 20859-02-3
L-tert-Leucine

: 501-52-0
3-Phenylpropionic acid

: 205494-44-6
N-(3-phenylpropanoyl)-L-tert-Leu-OH

Conditions

Conditions	Yield
Stage #1: 3-Phenylpropionic acid With chloroformic acid ethyl ester; triethylamine In tetrahydrofuran at 0℃; for 0.5h; Green chemistry; Stage #2: L-tert-Leucine With water In tetrahydrofuran at 0℃; for 0.5h; Green chemistry;	100%

NaHSO4·H2O: NaHSO4·H2O

: 20859-02-3
L-tert-Leucine

: 24424-99-5
di-tert-butyl dicarbonate

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

Conditions

Conditions	Yield
With triethylamine In 1,4-dioxane; water	99%
With triethylamine In 1,4-dioxane; water	99%

...Expand

: 20859-02-3
L-tert-Leucine

: 4-benzyloxy-3,5,6-trifluorophthalic anhydride

: N-4-benzyloxy-3,5,6-trifluorophthaloyl-(S)-tert-leucine

Conditions

Conditions	Yield
With triethylamine In toluene for 1.25h; Reflux;	99%

: 20859-02-3
L-tert-Leucine

: 1985-37-1
4-phenylnaphtho[2,3-c]furan-1,3-dione

: (S)-N-(1-phenylnaphthalene-2,3-dicarboximido)-tert-leucine

Conditions

Conditions	Yield
With triethylamine In toluene for 12h; Inert atmosphere; Reflux;	99%
In N,N-dimethyl-formamide Inert atmosphere; Reflux;	89%

: 20859-02-3
L-tert-Leucine

: 72607-35-3
3-(tert-butyl)-5-nitrosalicylaldehyde

: 1686-22-2
vanadium(V) oxytriethoxide

: C18H25N2O7V

Conditions

Conditions	Yield
In methanol; dichloromethane for 3h; Inert atmosphere;	99%

...Expand

: 20859-02-3
L-tert-Leucine

: 72607-35-3
3-(tert-butyl)-5-nitrosalicylaldehyde

: 5588-84-1
vanadium(V) oxytriisopropoxide

: C20H29N2O7V

Conditions

Conditions	Yield
In methanol; dichloromethane for 3h; Inert atmosphere;	99%
Stage #1: L-tert-Leucine; 3-(tert-butyl)-5-nitrosalicylaldehyde In methanol; dichloromethane for 3h; Reflux; Inert atmosphere; Stage #2: vanadium(V) oxytriisopropoxide In dichloromethane for 3h; Inert atmosphere;	99%

...Expand

: 20859-02-3
L-tert-Leucine

: 72607-35-3
3-(tert-butyl)-5-nitrosalicylaldehyde

: 7681-91-6
oxovanadium(V) trimethoxide

: C18H25N2O7V

Conditions

Conditions	Yield
Stage #1: L-tert-Leucine; 3-(tert-butyl)-5-nitrosalicylaldehyde In methanol; dichloromethane Reflux; Inert atmosphere; Stage #2: oxovanadium(V) trimethoxide In methanol; dichloromethane for 3h; Inert atmosphere;	99%

...Expand

: 1670-83-3
1H-Indole-7-carboxylic acid

: 20859-02-3
L-tert-Leucine

: C15H18N2O3

Conditions

Conditions	Yield
With coronafacic acid ligase SsCfaL for 20h; Catalytic behavior; Reagent/catalyst; Enzymatic reaction;	99%

: 20859-02-3
L-tert-Leucine

: 1609-86-5
Tert-butyl isocyanate

: 101968-85-8
(S)-2-(3-(tert-butyl)ureido)-3,3-dimethylbutanoic acid

Conditions

Conditions	Yield
Stage #1: L-tert-Leucine With sodium hydroxide In water pH=11.5; Stage #2: Tert-butyl isocyanate In water pH=9.3; Cooling with ice;	98%

: 20859-02-3
L-tert-Leucine

: 24327-08-0
meso-endo-tetrahydro-4,7-ethanoisobenzofuran-1,3-dione

: (S)-N-(endo-bicyclo[2.2.2]oct-5-ene-2,3-dicarboximido)-tert-leucine

Conditions

Conditions	Yield
With triethylamine In toluene for 12h; Inert atmosphere; Reflux;	98%

: 20859-02-3
L-tert-Leucine

: 90-02-8
salicylaldehyde

: 98-80-6
phenylboronic acid

: (3S,11S)-3-(tert-butyl)-11-phenyl-11H-4l4,11l4-benzo[e][1,3,2]oxazaborolo[2,3-b][1,3,2]oxazaborinin-2(3H)-one

Conditions

Conditions	Yield
Stage #1: L-tert-Leucine; salicylaldehyde In water at 90℃; for 1h; Stage #2: phenylboronic acid In water at 90℃; for 20h;	97%

...Expand

: 20859-02-3
L-tert-Leucine

: 28920-43-6
(fluorenylmethoxy)carbonyl chloride

: 132684-60-7
(S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3,3-dimethylbutanoic acid

Conditions

Conditions	Yield
With sodium carbonate In 1,4-dioxane at 0 - 20℃;	96%
With sodium carbonate In 1,4-dioxane; water at 0 - 20℃; Inert atmosphere;
With sodium carbonate In 1,4-dioxane; water at 0 - 20℃; for 1h; Inert atmosphere;
With sodium carbonate In 1,4-dioxane at 0℃; for 2h;

: 32703-79-0
4-tert-butylphthalic anhydride

: 20859-02-3
L-tert-Leucine

: (S)-N-(4-tert-butylphthalimido)-tert-leucine

Conditions

Conditions	Yield
With triethylamine In toluene for 12h; Inert atmosphere; Reflux;	96%
With triethylamine In toluene for 12h; Inert atmosphere; Reflux;	96%

: 20859-02-3
L-tert-Leucine

: 72607-35-3
3-(tert-butyl)-5-nitrosalicylaldehyde

: 1686-22-2
vanadium(V) oxytriethoxide

: C19H27N2O7V

Conditions

Conditions	Yield
Stage #1: L-tert-Leucine; 3-(tert-butyl)-5-nitrosalicylaldehyde In ethanol; dichloromethane Inert atmosphere; Reflux; Stage #2: vanadium(V) oxytriethoxide In ethanol; dichloromethane at 20℃; for 3h; Inert atmosphere;	96%

...Expand

: 20859-02-3
L-tert-Leucine

: 82911-69-1
N-(9H-fluoren-2-ylmethoxycarbonyloxy)succinimide

: 132684-60-7
(S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3,3-dimethylbutanoic acid

Conditions

Conditions	Yield
With sodium carbonate In water; acetone	95%

: 20859-02-3
L-tert-Leucine

: C15H23ClIrO2

: C16H27ClIrNO2

Conditions

Conditions	Yield
In methanol for 24h;	95%

: cobalt(II) nitrate hexahydrate

: 20859-02-3
L-tert-Leucine

: 497-19-8
sodium carbonate

: 41715-33-7
3,5-di-tert-amyl-2-hydroxy-benzaldehyde

: sodium Λ-bis[N-(3,5-di-tert-amyl-salicylidene)-(S)-tert-leucinato]cobaltate

Conditions

Conditions	Yield
Stage #1: L-tert-Leucine; sodium carbonate; 3,5-di-tert-amyl-2-hydroxy-benzaldehyde In ethanol at 90℃; for 6h; Stage #2: cobalt(II) nitrate hexahydrate In ethanol at 90℃; for 42h;	95%

...Expand

: 85-44-9
phthalic anhydride

: 20859-02-3
L-tert-Leucine

: 142765-23-9
(S)-(-)-2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-3,3-dimethyl-butyric acid

Conditions

Conditions	Yield
With triethylamine In toluene for 2h; Heating;	94%
With triethylamine In toluene for 0.5h; Heating;	86%
With triethylamine In toluene at 130℃; Dean-Stark;	67%

: 20859-02-3
L-tert-Leucine

: 50715-28-1
cyclopentyl chloroformate

: 572924-00-6
N-[(cyclopentyloxy)carbonyl]-L-tert-leucine

Conditions

Conditions	Yield
Stage #1: L-tert-Leucine With trimethylsilyl cyanide In acetonitrile for 0.25h; Stage #2: cyclopentyl chloroformate In acetonitrile at 80℃;	94%
Stage #1: L-tert-Leucine With trimethylsilyl cyanide In acetonitrile at 75℃; for 0.75h; Stage #2: cyclopentyl chloroformate In acetonitrile at 80℃;	94%

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: 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 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.

Product Name

L-tert-Leucine

Synthetic route

L-tert-Leucine Chemical Properties

L-tert-Leucine Uses

L-tert-Leucine Safety Profile

L-tert-Leucine Specification

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