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| Name |
L-Leucine tert-butyl ester hydrochloride |
EINECS | N/A |
| CAS No. | 2748-02-9 | Density | 0.929g/cm3 |
| PSA | 52.32000 | LogP | 3.20380 |
| Solubility | N/A | 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 | N/A | Appearance | Crystalline |
| Safety | 24/25 | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| 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; |
L-Leucine tert-butyl ester hydrochloride 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 | 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 | 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 | 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
| 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 | 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 | 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 | 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 | 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
- 872720-98-4
Fmoc-azaGly-Leu-OBut
| 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% |
- 226901-50-4
(5-nitro-1H-indol-1-yl)acetic acid
- 2748-02-9
L-leucine tert-butyl ester hydrochloride
| Conditions | Yield |
|---|---|
| With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; triethylamine In dichloromethane at 20℃; for 4h; Inert atmosphere; | 99% |
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
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