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Cas Database

Name	(S)-2,6-Bis-tert-butoxycarbonylaminohexanoic acid	EINECS	N/A
CAS No.	2483-46-7	Density	1.109 g/cm³
PSA	113.96000	LogP	3.44110
Solubility	N/A	Melting Point	N/A
Formula	C₁₆H₃₀N₂O₆	Boiling Point	514.4 °C at 760 mmHg
Molecular Weight	346.424	Flash Point	264.9 °C
Transport Information	N/A	Appearance	clear oil
Safety	24/25	Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	Lysine,N2,N6-dicarboxy-, N2,N6-di-tert-butyl ester (7CI);Lysine, N2,N6-dicarboxy-,N2,N6-di-tert-butyl ester, L- (8CI);Di(N-Boc)-L-lysine;Di-tert-butoxycarbonyl-L-lysine;Di[N-(tert-Butoxycarbonyl)]-L-lysine;N,N'-Bis(tert-butoxycarbonyl)-(S)-lysine;N2,N6-Bis(tert-butoxycarbonyl)-L-lysine;NSC 164052;Boc-Lys(Boc)-OH;	Article Data	58

(S)-2,6-Bis-tert-butoxycarbonylaminohexanoic acid Synthetic route

: 24424-99-5
di-tert-butyl dicarbonate

: 657-27-2, 10098-89-2
L-Lysine hydrochloride

: 2483-46-7
Boc-Lys(Boc)-OH

Conditions

Conditions	Yield
With sodium hydroxide In 1,4-dioxane; water at 20℃;	100%
With sodium hydroxide In 1,4-dioxane; water at 10 - 20℃; for 20h; pH=7.05 - 10;	92%
Stage #1: di-tert-butyl dicarbonate; L-Lysine hydrochloride With sodium hydrogencarbonate In tetrahydrofuran; water at 0 - 20℃; for 12h; Stage #2: di-tert-butyl dicarbonate In tetrahydrofuran; water at 0 - 20℃; for 12h;	90%

: N,N'-bis(tert-butyloxycarbonyl)-L-lysine dicyclohexylamine salt

: 2483-46-7
Boc-Lys(Boc)-OH

Conditions

Conditions	Yield
With potassium hydrogensulfate In diethyl ether; water for 0.333333h; Product distribution / selectivity;	100%
With citric acid In water; ethyl acetate at 0℃; for 0.5h;	97%
With water In ethyl acetate
With hydrogenchloride In water; ethyl acetate

: 56-87-1
L-lysine

: 24424-99-5
di-tert-butyl dicarbonate

: 2483-46-7
Boc-Lys(Boc)-OH

Conditions

Conditions	Yield
With sodium hydroxide In 1,4-dioxane	97%
With sodium hydrogencarbonate In tetrahydrofuran; water at 30℃; for 24h; Inert atmosphere;	92%
With sodium hydroxide In 1,4-dioxane; water at 20℃; for 12h;	92%

: 24424-99-5
di-tert-butyl dicarbonate

: 13734-28-6
Boc-Lys-OH

: 2483-46-7
Boc-Lys(Boc)-OH

Conditions

Conditions	Yield
With triethylamine In 1,4-dioxane; water for 18h; Cooling with ice;	93%

: 24424-99-5
di-tert-butyl dicarbonate

: 2418-95-3
(S)-2-amino-6-(tert-butoxycarbonylamino)hexanoic acid

: 2483-46-7
Boc-Lys(Boc)-OH

Conditions

Conditions	Yield
With sodium hydroxide In water; tert-butyl alcohol at 20 - 40℃; for 16h;	82%
Stage #1: di-tert-butyl dicarbonate; (S)-2-amino-6-(tert-butoxycarbonylamino)hexanoic acid With sodium hydroxide In tetrahydrofuran; water at 20℃; for 6h; pH=9 - 11; Stage #2: With citric acid In water pH=4 - 5;

: 1070-19-5
N-(tert-butyloxycarbonyl) azide

: 657-27-2, 10098-89-2
L-Lysine hydrochloride

: 2483-46-7
Boc-Lys(Boc)-OH

Conditions

Conditions	Yield
With sodium carbonate

: 18595-55-6
tert-butyl (quinolin-8-yl)carbonate

: 56-87-1
L-lysine

: 2483-46-7
Boc-Lys(Boc)-OH

Conditions

Conditions	Yield
With sodium hydroxide In N,N-dimethyl-formamide

: 56-87-1
L-lysine

: 13303-10-1
tert-Butyl 4-nitrophenyl carbonate

: 2483-46-7
Boc-Lys(Boc)-OH

Conditions

Conditions	Yield
With sodium hydroxide In tert-butyl alcohol
With triethylamine

: 16965-08-5
1,1-dimethylethyl 2,4,5-trichlorophenyl carbonate

: 657-27-2, 10098-89-2
L-Lysine hydrochloride

: 2483-46-7
Boc-Lys(Boc)-OH

Conditions

Conditions	Yield
With triethylamine In water; butan-1-ol

: 99872-16-9
Nα,Nε-Di-tert.-butyloxycarbonyl-L-lysin-ethylester

: 2483-46-7
Boc-Lys(Boc)-OH

Conditions

Conditions	Yield
With sodium hydroxide

(S)-2,6-Bis-tert-butoxycarbonylaminohexanoic acid Specification

The Boc-Lys(Boc)-OH, with the CAS registry number 2483-46-7, is also known as (S)-2,6-Bis-tert-butoxycarbonylaminohexanoic acid. It belongs to the product categories of Amino Acid Derivatives; Lysine [Lys, K]; Boc-Amino Acids and Derivative; Amino Acids 13C, 2H, 15N; Boc-Amino Acid Series; Amino Acids & Derivatives. This chemical's molecular formula is C₁₆H₃₀N₂O₆ and molecular weight is 346.4192. Its IUPAC name is called 2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid. This chemical is clear oil.

Physical properties of Boc-Lys(Boc)-OH: (1)ACD/LogP: 2.52; (2)ACD/LogD (pH 5.5): 0.58; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 6.42; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 8; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 11; (10)Index of Refraction: 1.477; (11)Molar Refractivity: 88.36 cm³; (12)Molar Volume: 312.3 cm³; (13)Surface Tension: 39.5 dyne/cm; (14)Density: 1.109 g/cm³; (15)Flash Point: 264.9 °C; (16)Enthalpy of Vaporization: 86.02 kJ/mol; (17)Boiling Point: 514.4 °C at 760 mmHg; (18)Vapour Pressure: 5.74E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C)OC(=O)NCCCCC(C(=O)O)NC(=O)OC(C)(C)C
(2)InChI: InChI=1S/C16H30N2O6/c1-15(2,3)23-13(21)17-10-8-7-9-11(12(19)20)18-14(22)24-16(4,5)6/h11H,7-10H2,1-6H3,(H,17,21)(H,18,22)(H,19,20)
(3)InChIKey: FBVSXKMMQOZUNU-UHFFFAOYSA-N

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