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13139-15-6

Basic Information
CAS No.: 13139-15-6
Name: BOC-L-Leucine
Article Data: 169
Molecular Structure:
Molecular Structure of 13139-15-6 (BOC-L-Leucine)
Formula: C11H21NO4
Molecular Weight: 231.292
Synonyms: N-((1,1-Dimethylethoxy)carbonyl)-L-leucine;N-(tert-Butoxycarbonyl)-L-leucine;N-tert-Butoxycarbonylleucine;N-tert-Butyloxycarbonyl-L-leucine;NSC 108690;tert-Butoxycarbonyl-L-leucine;tert-Butoxycarbonylleucine;
EINECS: 236-073-2
Density: 1.061 g/cm3
Melting Point: 82 - 87 °C
Boiling Point: 356 °C at 760 mmHg
Flash Point: 169.1 °C
Appearance: White to off-white crystalline powder
Hazard Symbols: IrritantXi,HarmfulXn
Risk Codes: 20/21/22-36/37/38
Safety: 26-36
PSA: 75.63000
LogP: 2.40130
Synthetic route
61-90-5

L-leucine

24424-99-5

di-tert-butyl dicarbonate

13139-15-6

N-tert-butoxycarbonyl-L-leucine

Conditions
ConditionsYield
With sodium hydroxide In 1,4-dioxane at 25℃; for 23h;100%
With sodium hydroxide In 1,4-dioxane; water at 0℃;100%
With sodium hydroxide In tetrahydrofuran; water at 20℃; for 19h;99%
108460-59-9

Boc-L-Leu-(Z)-ΔLeu-L-Ala-OMe

A

13139-15-6

N-tert-butoxycarbonyl-L-leucine

B

(S)-2-(4-Methyl-2-oxo-pentanoylamino)-propionic acid

Conditions
ConditionsYield
With McIlvaine buffer; 2-hydroxyethanethiol; papain (EC 3.4.22.2) at 35℃; for 24h; pH=8.0; Hydrolysis;A n/a
B 100%
61-90-5

L-leucine

13139-15-6

N-tert-butoxycarbonyl-L-leucine

Conditions
ConditionsYield
With triethylamine In water; N,N-dimethyl-formamide for 4h; Ambient temperature;99%
With sodium hydroxide In 1,4-dioxane; water at 0 - 20℃; pH=8 - 9;89.1%
61-90-5

L-leucine

98015-52-2

1,2,2,2-Tetrachloroethyl tert-Butyl Carbonate

13139-15-6

N-tert-butoxycarbonyl-L-leucine

Conditions
ConditionsYield
With sodium hydroxide In 1,4-dioxane; water at 20℃; pH=9.75;95%
61-90-5

L-leucine

105678-24-8

O-(tert-butyl) S-(pyridin-2-yl)carbonothioate

A

2637-34-5

2-Mercaptopyridine

B

13139-15-6

N-tert-butoxycarbonyl-L-leucine

Conditions
ConditionsYield
With triethylamine In water; N,N-dimethyl-formamide for 12h; Ambient temperature;A n/a
B 95%
61-90-5

L-leucine

89985-91-1

tert-butyl pyridin-2-yl carbonate

A

142-08-5

2-hydroxypyridin

B

13139-15-6

N-tert-butoxycarbonyl-L-leucine

Conditions
ConditionsYield
With triethylamine In water; N,N-dimethyl-formamide for 4h; Ambient temperature;A n/a
B 94%
77163-64-5

Boc-Leu-ONbn

13139-15-6

N-tert-butoxycarbonyl-L-leucine

Conditions
ConditionsYield
With tetrabutyl ammonium fluoride In tetrahydrofuran Ambient temperature;94%
82010-31-9

(S)-(1-hydroxymethyl-3-methylbutyl)carbamic acid tert-butyl ester

13139-15-6

N-tert-butoxycarbonyl-L-leucine

Conditions
ConditionsYield
With 2,2,6,6-tetramethyl-piperidine-N-oxyl; trichloroisocyanuric acid; sodium hydrogencarbonate; sodium bromide In water; acetone at 20℃; for 6h;92%
61-90-5

L-leucine

64205-15-8

(N-hydroxy-5-norbornene-2,3-diformylimino)tert-butyl ester

13139-15-6

N-tert-butoxycarbonyl-L-leucine

Conditions
ConditionsYield
With tertiary amine In 1,4-dioxane; water for 3h;91%

2-tert-butoxycarbonylamino-4-methyl-pentanoic acid 3-methyl-but-2-enyl ester

13139-15-6

N-tert-butoxycarbonyl-L-leucine

Conditions
ConditionsYield
With cerium(III) chloride; sodium iodide In acetonitrile for 1.5h; Heating;91%
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Specification

The Boc-Leu-OH, with the CAS registry number 13139-15-6, is also known as N-((1,1-Dimethylethoxy)carbonyl)-L-leucine. It belongs to the product categories of Aminoacids Derivatives; Leucine [Leu, L]; Boc-Amino Acids and Derivative; Amino Acids; Amino Acids (N-Protected); Biochemistry; Boc-Amino Acids; Boc-Amino Acid Series. Its EINECS registry number is 236-073-2. This chemical's molecular formula is C11H21NO4 and molecular weight is 231.28874. Its IUPAC name is called (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid. The product should be sealed and stored in cool, dry place at temperature of 4 °C. In addition, it is used as pharmaceutical Intermediate.

Physical properties of Boc-Leu-OH: (1)ACD/LogP: 2.51; (2)ACD/LogD (pH 5.5): 0.6; (3)ACD/LogD (pH 7.4): -0.97; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 6.87; (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.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes and may cause damage to health. 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: CC(C)CC(C(=O)O)NC(=O)OC(C)(C)C
(2)Isomeric SMILES: CC(C)C[C@@H](C(=O)O)NC(=O)OC(C)(C)C
(3)InChI: InChI=1S/C11H21NO4/c1-7(2)6-8(9(13)14)12-10(15)16-11(3,4)5/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14)/t8-/m0/s1
(4)InChIKey: MDXGYYOJGPFFJL-QMMMGPOBSA-N