ChemicalBook--->CAS DataBase List--->170384-29-9

170384-29-9

170384-29-9 Structure

170384-29-9 Structure
IdentificationBack Directory
[Name]

Carbamic acid, (2-oxopropyl)-, 1,1-dimethylethyl ester (9CI)
[CAS]

170384-29-9
[Synonyms]

Boc-Gly-Me
Boc-aminoacetone
1-(Boc-amino)-2-propanone
N-Boc-1-aMinopropan-2-one
1-(Boc-amino)-2-oxopropane
tert-Butyl N-acetonylcarbaMate
tert-butyl 2-oxopropylcarbaMate
tert-butyl N-(2-oxopropyl)carbaMate
(2-ocopropyl)carbamic acid tert-butyl ester
(2-Oxopropyl)carbamic acid tert-butyl ester
ethyl 3-(tert-butoxycarbonylaMino)-2- oxopropanoate
CarbaMic acid, (2-oxopropyl)-, 1,1-diMethylethyl ester
Carbamic acid, N-(2-oxopropyl)-, 1,1-dimethylethyl ester
Carbamic acid, (2-oxopropyl)-, 1,1-dimethylethyl ester (9CI)
me: Carbamic acid, (2-oxopropyl)-, 1,1-dimethylethyl ester (9CI)
[Molecular Formula]

C8H15NO3
[MDL Number]

MFCD10698678
[MOL File]

170384-29-9.mol
[Molecular Weight]

173.21
Chemical PropertiesBack Directory
[Melting point ]

48-49 °C
[Boiling point ]

80-85 °C(Press: 0.1 Torr)
[density ]

1.018±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,2-8°C
[solubility ]

Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
[form ]

liquid
[pka]

11.18±0.46(Predicted)
[color ]

Light yellow
[InChI]

InChI=1S/C8H15NO3/c1-6(10)5-9-7(11)12-8(2,3)4/h5H2,1-4H3,(H,9,11)
[InChIKey]

OZGMUQGCAFEQOX-UHFFFAOYSA-N
[SMILES]

C(OC(C)(C)C)(=O)NCC(=O)C
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H412
[Precautionary statements ]

P273
[Hazard Codes ]

Xn
[Risk Statements ]

22
[HS Code ]

2924297099
Spectrum DetailBack Directory
[Spectrum Detail]

Carbamic acid, (2-oxopropyl)-, 1,1-dimethylethyl ester (9CI)(170384-29-9)1HNMR
Hazard InformationBack Directory
[Synthesis]

1-(BOC-AMINO)-2-PROPANOL

95656-86-3

Carbamic acid, (2-oxopropyl)-, 1,1-dimethylethyl ester (9CI)

170384-29-9

General procedure for the synthesis of N-Boc-1-aminoacetone from 1-(Boc-amino)-2-propanol: 1-(Boc-amino)-2-propanol (16.0 g, 92.0 mmol) was slowly added to a solution of pyridinium dichromate (PDC) (68.9 g, 183 mmol) in N,N-dimethylformamide (DMF) (50 mL) at 0 °C. ) to a solution of DMF (42 mL). The reaction mixture was stirred at 0 °C for 16 h and gradually warmed up to 23 °C. Upon completion of the reaction, the mixture was filtered through a diatomaceous earth plug and rinsed with ether (Et2O) solution. Subsequently, the reaction was quenched with brine (200 mL) and diluted with ether (700 mL). The combined ether layers were washed sequentially with aqueous ammonium chloride (2 x 200 mL), water (2 x 200 mL) and brine (2 x 200 mL), dried over anhydrous magnesium sulfate (MgSO4), filtered and concentrated to give N-Boc-1-aminoacetone as a yellow oil; Yield: 10.6 g (61.0 mmol, 61% yield).

[References]

[1] Organic Letters, 2011, vol. 13, # 11, p. 2932 - 2935
[2] Journal of the Chemical Society. Perkin Transactions 1, 2001, # 16, p. 1916 - 1928
[3] Russian Chemical Bulletin, 2005, vol. 54, # 6, p. 1535 - 1536
[4] Synthesis (Germany), 2015, vol. 47, # 18, p. 2756 - 2766
[5] Patent: WO2006/104356, 2006, A1. Location in patent: Page/Page column 27
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