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CAS No.: | 13139-16-7 |
---|---|
Name: | BOC-L-Isoleucine |
Article Data: | 85 |
Molecular Structure: | |
Formula: | C11H21NO4 |
Molecular Weight: | 231.292 |
Synonyms: | N-((1,1-Dimethylethoxy)carbonyl)-L-isoleucine;N-(tert-Butoxycarbonyl)-L-isoleucine;N-(tert-Butyloxycarbonyl)-L-isoleucine;NSC 334311;tert-Butoxycarbonyl-L-isoleucine;tert-Butoxycarbonylisoleucine;tert-Butyloxycarbonyl-L-isoleucine;tert-Butyloxycarbonylisoleucine; |
EINECS: | 236-074-8 |
Density: | 1.061 g/cm3 |
Melting Point: | 68-72 °C |
Boiling Point: | 356 °C at 760 mmHg |
Flash Point: | 169.1 °C |
Solubility: | Soluble in methanol. Insoluble in water. |
Appearance: | white fine crystalline powder |
Hazard Symbols: | Xn |
Risk Codes: | 20/21/22-36/37/38 |
Safety: | 24/25-36-26 |
PSA: | 75.63000 |
LogP: | 2.40130 |
L-isoleucine
di-tert-butyl dicarbonate
N-(tert-butyloxycarbonyl)-L-isoleucine
Conditions | Yield |
---|---|
With sodium hydroxide In 1,4-dioxane; water at 20℃; for 24h; | 100% |
Stage #1: L-isoleucine With sodium hydroxide In 1,4-dioxane; water at 0℃; Stage #2: di-tert-butyl dicarbonate In 1,4-dioxane; water at 0 - 20℃; | 100% |
With sodium hydroxide In 1,4-dioxane; water at 0℃; | 100% |
N-(tert-butyloxycarbonyl)-L-isoleucine
Conditions | Yield |
---|---|
With trimethyltin(IV) hydroxide In 1,2-dichloro-ethane for 9h; Heating; | 100% |
N-(tert-butyloxycarbonyl) azide
L-isoleucine
N-(tert-butyloxycarbonyl)-L-isoleucine
Conditions | Yield |
---|---|
In 1,4-dioxane; sodium hydroxide; water at 20℃; for 24h; | 95% |
With hydroxide | |
With triethylamine In water; N,N-dimethyl-formamide |
L-isoleucine
tert-butyl 2-oxo-1,3-oxazole-3(2H)-carboxylate
N-(tert-butyloxycarbonyl)-L-isoleucine
Conditions | Yield |
---|---|
With dmap; triethylamine In 1,4-dioxane; water for 15h; Ambient temperature; | 87% |
Conditions | Yield |
---|---|
With triethylamine In water Ambient temperature; | 80% |
L-isoleucine
1,2,2,2-Tetrachloroethyl tert-Butyl Carbonate
N-(tert-butyloxycarbonyl)-L-isoleucine
Conditions | Yield |
---|---|
With sodium hydroxide In 1,4-dioxane; water at 20℃; pH=9.5; | 71% |
L-isoleucine
tert-Butyl 4-nitrophenyl carbonate
N-(tert-butyloxycarbonyl)-L-isoleucine
Conditions | Yield |
---|---|
With sodium hydroxide; tert-butyl alcohol |
L-isoleucine
tert-butyl fluoroformate
N-(tert-butyloxycarbonyl)-L-isoleucine
Conditions | Yield |
---|---|
With sodium hydroxide In 1,4-dioxane |
L-isoleucine
1,1-dimethylethyl 2,4,5-trichlorophenyl carbonate
N-(tert-butyloxycarbonyl)-L-isoleucine
Conditions | Yield |
---|---|
With triethylamine In tert-butyl alcohol |
t-butylpentachlorophenyl carbonate
N-(tert-butyloxycarbonyl)-L-isoleucine
Conditions | Yield |
---|---|
With triethylamine In chloroform; N,N-dimethyl-formamide |
The Boc-L-Isoleucine, with the CAS registry number 13139-16-7, is also known as N-((1,1-Dimethylethoxy)carbonyl)-L-isoleucine. It belongs to the product categories of Aminoacids Derivatives; Amino Acids; Isoleucine [Ile, I]; Boc-Amino Acids and Derivative; Amino Acids (N-Protected); Biochemistry; Boc-Amino Acids; Boc-Amino Acid Series. Its EINECS registry number is 236-074-8. This chemical's molecular formula is C11H21NO4 and molecular weight is 231.28874. Its IUPAC name is called (2R,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid. The product which can be used in peptide synthesis should be sealed at temperature of 4 °C.
Physical properties of Boc-L-Isoleucine: (1)ACD/LogP: 2.51; (2)ACD/LogD (pH 5.5): 0.62; (3)ACD/LogD (pH 7.4): -0.96; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 7.08; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Index of Refraction: 1.461; (12)Molar Refractivity: 59.82 cm3; (13)Molar Volume: 217.8 cm3; (14)Surface Tension: 36.1 dyne/cm; (15)Density: 1.061 g/cm3; (16)Flash Point: 169.1 °C; (17)Enthalpy of Vaporization: 66.05 kJ/mol; (18)Boiling Point: 356 °C at 760 mmHg; (19)Vapour Pressure: 4.98E-06 mmHg at 25°C.
Uses of Boc-L-Isoleucine: it can be used to produce BOC-L-isoleucine hydroxysuccinimide ester at ambient temperature. This reaction will need reagent 1-hydroxybenzotriazole (HOBT), 1-ethyl-3-<3-(dimethylamino)propyl>carbodiimide hydrochloride (EDC) and solvent dimethylformamide with reaction time of 18 hours. The yield is about 96%.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC(C)C(C(=O)O)NC(=O)OC(C)(C)C
(2)Isomeric SMILES: CC[C@H](C)[C@H](C(=O)O)NC(=O)OC(C)(C)C
(3)InChI: InChI=1S/C11H21NO4/c1-6-7(2)8(9(13)14)12-10(15)16-11(3,4)5/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14)/t7-,8+/m0/s1
(4)InChIKey: QJCNLJWUIOIMMF-JGVFFNPUSA-N