tert-Butoxycarbonyl-L-isoleucine
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tert-Butoxycarbonyl-L-isoleucine
structure -
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CAS No:
13139-16-7
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Formula:
C11H21NO4
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Chemical Name:
tert-Butoxycarbonyl-L-isoleucine
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Synonyms:
L-Isoleucine,N-[(1,1-dimethylethoxy)carbonyl]-;Isoleucine,N-carboxy-,N-tert-butyl ester,L-;N-[(1,1-Dimethylethoxy)carbonyl]-L-isoleucine;tert-Butoxycarbonyl-L-isoleucine;N-(tert-Butoxycarbonyl)-L-isoleucine;N-(tert-Butyloxycarbonyl)-L-isoleucine;N-Carboxyisoleucine N-tert-butyl ester;N-tert-Butoxycarbonylisoleucine;BOC-isoleucine;BOC-L-isoleucine;NSC 334311;N-t-Boc-L-isoleucine;(2S,3S)-2-[(tert-Butoxycarbonyl)amino]-3-methylpentanoic acid;N-Boc-L-isoleucine;(2S,3S)-2-(tert-Butoxycarbonylamino)-3-methylpentanoic acid;251308-24-4;444189-87-1;760894-13-1;1055073-60-3;1133711-09-7;1161436-41-4;1236362-46-1;1324010-81-2;1357914-00-1;1396967-46-6;1447604-29-6;1567347-11-8;2242531-25-3;2375242-18-3
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CAS No:
Characteristics
75.6
1.6
white powder and chunks
1.1±0.1 g/cm3
48-52 °C
356°C at 760 mmHg
169.1±23.2 °C
1.461
soluble in methanol. Insoluble in water.
−20°C
0mmHg at 25°C
2 º (c=2,CH3COOH)
Safety Information
NONH for all modes of transport
3
20/21/22-36/37/38
24/25-36-26
Xn
Stable at room temperature in closed containers under normal storage and handling conditions.
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 3 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
tert-Butoxycarbonyl-L-isoleucine Use and Manufacturing
A solution of L-Isoleucine (1.31 g, 10 mmol, 1.0 equiv.) in 20.5 mL 1M NaOH was cooled in an ice-bath and Boc3.00 mg (22.87 mmol) of L-isoleucine (S)-11 is introduced in a 300 ml egg plant type flask and dissolved by adding 21 ml of 1N-NaOH, Furthermore, 15 ml of water, 15 ml of dioxane and 5.49 mg (25.15 mmol) of Boc2O are added and stirred at room temperature for 5 hours, and additional 2.70 mg (12.37 mmol) of Boc2O are added and stirred at room temperature for 13 hours. The reaction solution is washed for three times with 30 ml of ether, pH is adjusted to 2-3 by adding citric acid to an aqueous layer in an ice bath, and thereafter it is washed twice with 50 ml of diethyl ether, extracted twice with 30 ml of ethyl acetate, washed for 5 times with 20 ml of water, dried with sodium sulfate and distilled off the solvent, to obtain 4.69 g (yield; 88.7percent) of a Boc form (S)-12 of L-isoleucine as colorless oil.General procedure: l-lysine, l-alanine, l-leucine, l-isoleucine, l-phenylalanine, l-threonine (5g, 1 equiv) was dissolved in H
Used in biochemical reagents and peptide synthesis.
L-Isoleucine, N-[(1,1-dimethylethoxy)carbonyl]-: INACTIVE
Computed Properties
Molecular Weight:231.29
XLogP3:1.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:231.14705815
Monoisotopic Mass:231.14705815
Topological Polar Surface Area:75.6
Heavy Atom Count:16
Complexity:257
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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tert-Butoxycarbonyl-L-isoleucine
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