L-Leucine tert-butyl ester hydrochloride supplier

Name
L-Leucine tert-butyl ester hydrochloride
EINECS
CAS No. 2748-02-9
Density 0.929g/cm3
Solubility
Melting Point 167°C(lit.)
Formula C₁₀H₂₂ClNO₂
Boiling Point 222.4 °C at 760 mmHg
Molecular Weight 223.743
Flash Point 90.3 °C
Transport Information
Appearance Crystalline
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms L-Leucine,1,1-dimethylethyl ester, hydrochloride (9CI);Leucine, tert-butyl ester,hydrochloride (6CI,7CI);Leucine, tert-butyl ester, hydrochloride, L- (8CI);L-Leucine tert-butyl ester hydrochloride;L-Leucine tert-butyl esterhydrochloride;tert-Butyl (S)-2-amino-4-methylpentanoate hydrochloride;tert-Butyl L-leucinate hydrochloride;H-Leu-OtBu·HCl;
PSA 52.32000
LogP 3.20380

Synthetic route

: 3160-59-6
N-Cbz-L-Isoleucine

: 2748-02-9
L-leucine tert-butyl ester hydrochloride

: 69531-03-9
N-benzyloxycarbonyl-L-isoleucyl-L-leucine t-butyl ester

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In dichloromethane; water; N,N-dimethyl-formamide at 20℃;	100%
With 4-methyl-morpholine; (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate In N,N-dimethyl-formamide for 2h;	88%

: 691363-43-6
4-(1-ethyl-propylamino)-3-nitro-benzoic acid

: 2748-02-9
L-leucine tert-butyl ester hydrochloride

: 1586791-35-6
(S)-2-[4-(1-ethyl-propylamino)-3-nitro-benzoylamino]-4-methyl-pentanoic acid tert-butyl ester

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; for 4h;	100%

: 453-71-4
3-nitro-4-fluorobenzoic acid

: 2748-02-9
L-leucine tert-butyl ester hydrochloride

: 1586791-32-3
(S)-2-(4-fluoro-3-nitro-benzoylamino)-4-methyl-pentanoic acid tert-butyl ester

Conditions

Conditions	Yield
Stage #1: 3-nitro-4-fluorobenzoic acid With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 0℃; for 0.5h; Stage #2: L-leucine tert-butyl ester hydrochloride With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide for 4h;	100%
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 0 - 20℃; for 4h;

: 2748-02-9
L-leucine tert-butyl ester hydrochloride

: Nα-(9-fluorenylmethyloxycarbonyl)-Nγ-2,2,4,6,7-pentamethyldihydrobenzofuran-5-sulfonyl-L-arginine

: Fmoc-Arg(Pbf)-Leu-Ot-Bu

Conditions

Conditions	Yield
Stage #1: L-leucine tert-butyl ester hydrochloride; Nα-(9-fluorenylmethyloxycarbonyl)-Nγ-2,2,4,6,7-pentamethyldihydrobenzofuran-5-sulfonyl-L-arginine With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In tetrahydrofuran for 0.5h; Cooling with ice; Stage #2: With 4-methyl-morpholine In tetrahydrofuran for 4h; Cooling with ice;	100%

: 2748-02-9
L-leucine tert-butyl ester hydrochloride

: 77171-41-6
(2R,3R)-N-(tert-butoxycarbonyl)-3-amino-2-hydroxy-4-phenylbutanoic acid

: 1242168-90-6
N-[(2R,3R)-3-(tert-butoxycarbonyl)amino-2-hydroxy-4-phenylbutanoyl]-L-leucine tert-butyl ester

Conditions

Conditions	Yield
Stage #1: L-leucine tert-butyl ester hydrochloride; (2R,3R)-N-(tert-butoxycarbonyl)-3-amino-2-hydroxy-4-phenylbutanoic acid In tetrahydrofuran for 0.5h; Cooling with ice; Stage #2: With benzotriazol-1-ol; triethylamine; dicyclohexyl-carbodiimide In tetrahydrofuran at 0℃; Concentration;	99.3%

: 2748-02-9
L-leucine tert-butyl ester hydrochloride

: 215312-93-9
cycloheptan-3-on-1-yl 2,3,4,6-tetra-O-lauroyl-1-thio-β-D-galactopyranoside

: 215313-23-8
Dodecanoic acid (2S,3R,4S,5S,6R)-2-[3-((S)-1-tert-butoxycarbonyl-3-methyl-butylamino)-cycloheptylsulfanyl]-4,5-bis-dodecanoyloxy-6-dodecanoyloxymethyl-tetrahydro-pyran-3-yl ester

Conditions

Conditions	Yield
With sodium cyanoborohydride In tetrahydrofuran; acetonitrile for 73h;	99%

: 71989-31-6
Fmoc-Pro-OH

: 2748-02-9
L-leucine tert-butyl ester hydrochloride

: 82361-41-9
(9H-fluoren-9-yl)methyl (S)-2-((S)-1-tert-butoxy-4-methyl-1-oxopentan-2-ylcarbamoyl)pyrrolidine-1-carboxylate

Conditions

Conditions	Yield
With 2,3,5-trimethyl-pyridine; HATU In dichloromethane; N,N-dimethyl-formamide at 20℃; for 3h; Inert atmosphere;	99%

: 2748-02-9
L-leucine tert-butyl ester hydrochloride

: 590-17-0
cyanomethyl bromide

: 1243692-13-8
(S)-tert-butyl 2-(cyanomethylamino)-4-methylpentanoate

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In acetonitrile at 20℃;	99%

: 2748-02-9
L-leucine tert-butyl ester hydrochloride

: 530-62-1
1,1'-carbonyldiimidazole

: Fmoc-hydrazine hydrochloride

: 872720-98-4
Fmoc-azaGly-Leu-OBut

Conditions

Conditions	Yield
Stage #1: 1,1'-carbonyldiimidazole; Fmoc-hydrazine hydrochloride With N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 20℃; for 1h; Cooling with ice; Stage #2: L-leucine tert-butyl ester hydrochloride In N,N-dimethyl-formamide at 20℃; for 18h; Cooling with ice;	99%
Stage #1: 1,1'-carbonyldiimidazole; Fmoc-hydrazine hydrochloride With N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 35℃; for 1h; Cooling with ice; Stage #2: L-leucine tert-butyl ester hydrochloride In tetrahydrofuran; N,N-dimethyl-formamide at 35℃; for 18h; Cooling with ice;	99%

...Expand

: 226901-50-4
(5-nitro-1H-indol-1-yl)acetic acid

: 2748-02-9
L-leucine tert-butyl ester hydrochloride

: (S)-tert-butyl N-[(5-nitro-1H-indol-1-yl)acetyl] L-leucinate

Conditions

Conditions	Yield
With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; triethylamine In dichloromethane at 20℃; for 4h; Inert atmosphere;	99%

: 199434-50-9
(E)-2-hydroxyimino-propionic acid methyl ester

: 2748-02-9
L-leucine tert-butyl ester hydrochloride

: C13H24N2O4

Conditions

Conditions	Yield
Stage #1: L-leucine tert-butyl ester hydrochloride With triethylamine In neat (no solvent) at 20℃; for 1h; Stage #2: (E)-2-hydroxyimino-propionic acid methyl ester With niobium(V) ethoxide In neat (no solvent) at 50 - 80℃; for 24h;	99%

: 2748-02-9
L-leucine tert-butyl ester hydrochloride

: 158851-30-0
(S)-3-tert-butoxycarbonylaminobutyric acid

: Boc-L-β-HoAla-L-Leu-O-t-Bu

Conditions

Conditions	Yield
With pentamethoxy tantalum; 1-(Trimethylsilyl)imidazole In neat (no solvent) at 50℃; for 48h; Inert atmosphere; Sealed tube;	97%

: 2748-02-9
L-leucine tert-butyl ester hydrochloride

: 244251-20-5
(S)-3-{[(tert-butoxy)carbonyl]amino}-5-(methylsulfanyl)pentanoic acid

: Boc-L-β-HoMet-L-Leu-O-t-Bu

Conditions

Conditions	Yield
With pentamethoxy tantalum; 1-(Trimethylsilyl)imidazole In neat (no solvent) at 40℃; for 48h; Inert atmosphere; Sealed tube;	97%

: 2748-02-9
L-leucine tert-butyl ester hydrochloride

: 53100-44-0
L-N-t-butoxycarbonylpyroglutamic acid

: Boc-pyroGlu-Leu-OtBu

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In N,N-dimethyl-formamide at 0 - 20℃; for 12h;	96%
With benzotriazol-1-ol; triethylamine In N,N-dimethyl-formamide for 12h; Cooling with ice;	88%

: 2748-02-9
L-leucine tert-butyl ester hydrochloride

: 2-[(2S)-N-[(benzyloxy)carbonyl]pyrrolidin-2-yl]-2-hydroxyacetic acid

: (S)-2-[((S)-1-tert-Butoxycarbonyl-3-methyl-butylcarbamoyl)-hydroxy-methyl]-pyrrolidine-1-carboxylic acid benzyl ester

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In N,N-dimethyl-formamide 1.) 0 deg C, 2 h, 2.) room temperature;	95.6%

: 2748-02-9
L-leucine tert-butyl ester hydrochloride

: 215312-92-8
2,2-dimethylcyclohexan-5-on-1-yl 2,3,4,6-tetra-O-lauroyl-1-thio-β-D-galactopyranoside

: 215313-22-7
Dodecanoic acid (2S,3R,4S,5S,6R)-2-[5-((S)-1-tert-butoxycarbonyl-3-methyl-butylamino)-2,2-dimethyl-cyclohexylsulfanyl]-4,5-bis-dodecanoyloxy-6-dodecanoyloxymethyl-tetrahydro-pyran-3-yl ester

Conditions

Conditions	Yield
With sodium cyanoborohydride In tetrahydrofuran; acetonitrile for 73h;	95%

: 918822-70-5
2,5-dioxopyrrolidin-1-yl (2-(vinylsulfonyl)ethyl)carbonate

: 2748-02-9
L-leucine tert-butyl ester hydrochloride

: 918822-82-9
2-(2-ethenesulfonyl-ethoxycarbonylamino)-4-methyl-pentanoic acid tert-butyl ester

Conditions

Conditions	Yield
With sodium hydrogencarbonate In water; acetonitrile at 20℃; for 0.25h;	94%

: 2748-02-9
L-leucine tert-butyl ester hydrochloride

: 215312-94-0
cyclohexan-2-on-1-yl 2,3,4,6-tetra-O-lauroyl-1-thio-β-D-galactopyranoside

: 215313-24-9
Dodecanoic acid (2S,3R,4S,5S,6R)-2-[2-((S)-1-tert-butoxycarbonyl-3-methyl-butylamino)-cyclohexylsulfanyl]-4,5-bis-dodecanoyloxy-6-dodecanoyloxymethyl-tetrahydro-pyran-3-yl ester

Conditions

Conditions	Yield
With sodium cyanoborohydride In tetrahydrofuran; acetonitrile for 73h;	93%

: 857506-64-0
1-(4-fluorophenyl)-3-(R)-[2-(4-fluorobenzoyl)ethyl]-4-(S)-[4-(N-[(R)-1-carboxy-3-methylbutyl]carbamoylmethoxy)phenyl]azetidin-2-one

: 2748-02-9
L-leucine tert-butyl ester hydrochloride

: 857506-66-2
1-(4-fluorophenyl)-3-(R)-[2-(4-fluorobenzoyl)ethyl]-4-(S)-{4-[N-((R)-1-{N-[1-(S)-(t-butoxycarbonyl)-3-(methyl)butyl]carbamoyl}-3-methylbutyl)carbamoylmethoxy]phenyl}azetidin-2-one

Conditions

Conditions	Yield
With 4-methyl-morpholine; O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate In dichloromethane at 20℃; for 1h;	93%

: 2748-02-9
L-leucine tert-butyl ester hydrochloride

: Nα-(allyloxycarbonyl)-Nε-(benzyloxycarbonyl)-L-Lysine

: tert-butyl Nα-(allyloxy)carbonyl-Nε-(benzyloxycarbonyl)-L-Lysyl-L-Leucinate

Conditions

Conditions	Yield
Stage #1: Nα-(allyloxycarbonyl)-Nε-(benzyloxycarbonyl)-L-Lysine With 4-methyl-morpholine; isobutyl chloroformate In tetrahydrofuran at -20℃; for 0.25h; Stage #2: L-leucine tert-butyl ester hydrochloride In tetrahydrofuran at 20℃; for 18h;	93%

: 2748-02-9
L-leucine tert-butyl ester hydrochloride

: 598-21-0
2-Bromoacetyl bromide

: 1205615-78-6
C12H22BrNO3

Conditions

Conditions	Yield
With potassium carbonate In dichloromethane; water at -0.16 - 20℃;	91.8%

: 1026419-47-5
C22H26N6O8

: 2748-02-9
L-leucine tert-butyl ester hydrochloride

: 958844-71-8
C21H34N4O6

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 72h; Inert atmosphere;	91%

: 74124-79-1
di(succinimido) carbonate

: 5350-57-2
benzophenone hydrazone

: 2748-02-9
L-leucine tert-butyl ester hydrochloride

: tert-butyl ((2-diphenylmethylene)hydrazine-1-carbonyl)-L-leucinate

Conditions

Conditions	Yield
Stage #1: di(succinimido) carbonate; benzophenone hydrazone In dichloromethane; N,N-dimethyl-formamide at 0 - 20℃; for 0.75h; Inert atmosphere; Stage #2: L-leucine tert-butyl ester hydrochloride With N-ethyl-N,N-diisopropylamine In dichloromethane; N,N-dimethyl-formamide at 0 - 20℃; for 16h; Inert atmosphere;	91%

...Expand

: 2748-02-9
L-leucine tert-butyl ester hydrochloride

: 3173-56-6
benzyl isothiocyanate

: N-(benzylcarbamoyl)-leucine tert-butyl ester

Conditions

Conditions	Yield
With diisopropylamine In dichloromethane at 0 - 20℃; for 0.5h;	90%

: 4285-42-1
N-phenyl-N-methylcarbamoyl chloride

: 2748-02-9
L-leucine tert-butyl ester hydrochloride

: methyl (S)-4-methyl-2-{[methyl(phenyl)carbamoyl]amino}pentanoate

Conditions

Conditions	Yield
With dmap; triethylamine In 1,2-dimethoxyethane for 2h; Inert atmosphere; Reflux;	90%

: 2748-02-9
L-leucine tert-butyl ester hydrochloride

: 503066-39-5
(S)-2-[[[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]diphenylsilanyl]methyl]-4-methylpentanoic acid

: 561294-36-8
(S)-2-[(S)-2-[[[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]diphenylsilanyl]methyl]-4-methylpentanoylamino]-4-methylpentanoic acid tert-butyl ester

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In dichloromethane at 0 - 20℃; for 25h;	89%

: 1586791-17-4
1-(1-ethyl-propyl)-2-(tetrahydro-furan-2-ylmethyl)-1H-benzoimidazole-5-carboxylic acid

: 2748-02-9
L-leucine tert-butyl ester hydrochloride

: 1586791-16-3
(S)-2-{[1-(1-ethyl-propyl)-2-(tetrahydro-furan-2-ylmethyl)-1H-benzoimidazole-5-carbonyl]-amino}-4-methyl-pentanoic acid tert-butyl ester

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 0 - 20℃; for 16h;	88%
Stage #1: 1-(1-ethyl-propyl)-2-(tetrahydro-furan-2-ylmethyl)-1H-benzoimidazole-5-carboxylic acid With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 0℃; for 0.25h; Stage #2: L-leucine tert-butyl ester hydrochloride With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; for 16h;	88%

: Nα-(allyloxycarbonyl)-Nε-(benzyloxycarbonyl)-D-Lysine

: 2748-02-9
L-leucine tert-butyl ester hydrochloride

: tert-butyl Nα-(allyloxy)carbonyl-Nε-((benzyloxy)carbonyl)-D-Lysyl-L-Leucinate

Conditions

Conditions	Yield
Stage #1: Nα-(allyloxycarbonyl)-Nε-(benzyloxycarbonyl)-D-Lysine With 4-methyl-morpholine; isobutyl chloroformate In tetrahydrofuran at -20℃; for 0.25h; Stage #2: L-leucine tert-butyl ester hydrochloride In tetrahydrofuran at 20℃; for 18h;	88%

: 20312-36-1
L-3-phenyllactic acid

: 2748-02-9
L-leucine tert-butyl ester hydrochloride

: tert-butyl ((S)-2-hydroxy-3-phenylpropanoyl)-L-leucinate

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In dichloromethane at 0 - 20℃;	88%

: 2748-02-9
L-leucine tert-butyl ester hydrochloride

: N-(tert-butoxycarbonyl)-N1-(4-iodobenzyl)-L-tryptophan

: tert-butyl N-(tert-butoxycarbonyl)-N1-(4-iodobenzyl)-L-tryptophyl-L-leucinate

Conditions

Conditions	Yield
With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine In acetonitrile at 20℃; for 18h;	88%

L-Leucine tert-butyl ester hydrochloride Specification

The L-Leucine,1,1-dimethylethyl ester, hydrochloride (1:1), with the CAS registry number 2748-02-9, is also known as L-Leucine tert-butyl ester hydrochloride. It belongs to the product categories of Amino Acid Derivatives; Leucine [Leu, L]; Amino Acids and Derivatives; Amino Hydrochloride; Amino Acids; I - Z and Modified Amino Acids. This chemical's molecular formula is C₁₀H₂₂ClNO₂ and molecular weight is 223.74. What's more, its IUPAC name is tert-Butyl (2S)-2-amino-4-methylpentanoate hydrochloride and systematic name is called (2S)-1-tert-Butoxy-4-methyl-1-oxopentan-2-aminium chloride. It is crystalline.

Physical properties about L-Leucine,1,1-dimethylethyl ester, hydrochloride (1:1) are: (1) ACD/LogP: 2.15; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 7.4): 2; (4) ACD/BCF (pH 5.5): 1; (5) ACD/BCF (pH 7.4): 6; (6) ACD/KOC (pH 5.5): 2; (7) ACD/KOC (pH 7.4): 84; (8) #H bond acceptors: 3; (9) #H bond donors: 2; (10) #Freely Rotating Bonds: 6; (11) Polar Surface Area: 26.3 Å²; (12) Flash Point: 90.3 °C; (13) Enthalpy of Vaporization: 45.88 kJ/mol; (14) Boiling Point: 222.4 °C at 760 mmHg; (15) Vapour Pressure: 0.102 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [Cl-].O=C(OC(C)(C)C)[C@H](CC(C)C)[NH3+]
(2) InChI: InChI=1/C10H21NO2.ClH/c1-7(2)6-8(11)9(12)13-10(3,4)5;/h7-8H,6,11H2,1-5H3;1H/t8-;/m0./s1
(3) InChIKey: RFUWRXIYTQGFGA-QRPNPIFTBS

Product Name

L-Leucine tert-butyl ester hydrochloride

Synthetic route

L-Leucine tert-butyl ester hydrochloride Specification

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