ChemicalBook--->CAS DataBase List--->142121-48-0

142121-48-0

142121-48-0 Structure

142121-48-0 Structure
IdentificationBack Directory
[Name]

BOC-D-LEUCINOL 97
[CAS]

142121-48-0
[Synonyms]

Boc-DL-Leucinol
N-BOC-DL-LEUCINOL
BOC-D-LEUCINOL 97
BOC-D-LEUCINOL 97 USP/EP/BP
(r)-n-(tert-butoxycarbonyl)leucinol
tert-Butyl (1-hydroxy-4-methylpentan-2-yl)carbamate
ert-butylN-(1-hydroxy-4-methylpentan-2-yl)carbamate
[Molecular Formula]

C11H23NO3
[MDL Number]

MFCD00235931
[MOL File]

142121-48-0.mol
[Molecular Weight]

217.31
Chemical PropertiesBack Directory
[Boiling point ]

213 °C (lit.)
[density ]

0.983 g/mL at 25 °C (lit.)
[refractive index ]

n20/D 1.449(lit.)
[Fp ]

>230 °F
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

12.11±0.46(Predicted)
[Optical Rotation]

[α]20/D +26°, c = 2 in methanol
[Major Application]

peptide synthesis
[InChI]

1S/C11H23NO3/c1-8(2)6-9(7-13)12-10(14)15-11(3,4)5/h8-9,13H,6-7H2,1-5H3,(H,12,14)/t9-/m1/s1
[InChIKey]

LQTMEOSBXTVYRM-SECBINFHSA-N
[SMILES]

CC(C)C[C@H](CO)NC(=O)OC(C)(C)C
Safety DataBack Directory
[Symbol(GHS) ]

Flame Over Circle (GHS03)Exclamation Mark (GHS07)
GHS03,GHS07
[Signal word ]

Warning
[Hazard statements ]

H272-H315-H319
[Precautionary statements ]

P221-P264b-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364-P370+P378r-P403-P501c
[WGK Germany ]

3
[HS Code ]

2924190090
[Storage Class]

10 - Combustible liquids
Hazard InformationBack Directory
[Uses]

peptide synthesis
[reaction suitability]

reaction type: Boc solid-phase peptide synthesis
[Synthesis]

D/L-LEUCINOL

16369-17-8

Di-tert-butyl dicarbonate

24424-99-5

BOC-D-LEUCINOL  97

142121-48-0

(1) Di-tert-butyl dicarbonate (4.1 g) was slowly added to a solution of 2-amino-4-methylpentan-1-ol (2.0 g) in tetrahydrofuran (THF, 40 mL) and the reaction mixture was stirred at room temperature overnight. Upon completion of the reaction, the solvent was removed by distillation under reduced pressure and the resulting residue was washed with a solvent mixture of hexane/ethyl acetate (5:1, v/v) to afford the white solid product tert-butyl (1-hydroxy-4-methylpentan-2-yl)carbamate (3.7 g, yield XX%). The product was analyzed by electrospray ionization mass spectrometry (ESI-MS) showing m/z: 240 ([M + Na]+), which is consistent with the expected molecular weight.

[References]

[1] Patent: US2013/331571, 2013, A1. Location in patent: Paragraph 0179; 0180
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