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170961-15-6

170961-15-6 Structure

170961-15-6 Structure
IdentificationBack Directory
[Name]

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

170961-15-6
[Synonyms]

N-Boc-2-thiazolamine
N-Boc-2-AMinothiazole
2-(Boc-amino)thiazole,97%
1-(Boc-aMino)thiazole, 97%
2-(Boc-aMino)thiazole, 97%
CarbaMic acid, 2-thiazolyl-
2-(tert-ButoxycarbonylaMino)thiazole
2-t-butoxycarbonylamino-1,3-thiazole
2 - (tert butyl n-formate) aminothiazole
Thiazol-2-yl-carbaMic acid tert-butyl ester
Carbamic acid, 2-thiazolyl-, 1,1-dimethylethyl ester
Carbamic acid, N-2-thiazolyl-, 1,1-dimethylethyl ester
Carbamic acid, 2-thiazolyl-, 1,1-dimethylethyl ester (9CI)
[Molecular Formula]

C8H12N2O2S
[MDL Number]

MFCD09038327
[MOL File]

170961-15-6.mol
[Molecular Weight]

200.258
Chemical PropertiesBack Directory
[Melting point ]

180-185℃
[density ]

1.242±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[pka]

5.25±0.70(Predicted)
[Appearance]

Light yellow to brown Solid
[InChI]

InChI=1S/C8H12N2O2S/c1-8(2,3)12-7(11)10-6-9-4-5-13-6/h4-5H,1-3H3,(H,9,10,11)
[InChIKey]

NCJXQSNROJRSSL-UHFFFAOYSA-N
[SMILES]

C(OC(C)(C)C)(=O)NC1=NC=CS1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H317
[Precautionary statements ]

P280-P261-P280g-P301+P312a-P321-P333+P313-P501a
[Hazard Codes ]

Xn
[Risk Statements ]

22-43
[Safety Statements ]

36/37
[WGK Germany ]

3
Spectrum DetailBack Directory
[Spectrum Detail]

Carbamic acid, 2-thiazolyl-, 1,1-dimethylethyl ester (9CI)(170961-15-6)1HNMR
Carbamic acid, 2-thiazolyl-, 1,1-dimethylethyl ester (9CI)(170961-15-6)1HNMR
Hazard InformationBack Directory
[Synthesis]

2-Aminothiazole

96-50-4

Di-tert-butyl dicarbonate

24424-99-5

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

170961-15-6

General procedure for the synthesis of tert-butyl thiazole-2-carbamate from 2-aminothiazole and di-tert-butyl dicarbonate: tert-butyl dicarbonate (27.5 ml, 119.9 mmol) was added to a tetrahydrofuran solution (20 ml) of 2-aminothiazole (10.0 g, 99.9 mmol) and the reaction mixture was stirred for 16 hours at room temperature. After completion of the reaction, the solvent was removed by distillation under reduced pressure to give the crude product. The crude product was recrystallized in hexane to give tert-butyl thiazole-2-carbamate (19.25 g, 96% yield) as colorless crystals. The melting point of the product was 181.5-182.5 °C, 1H NMR (300 MHz, CDCl3) δ 1.60 (9H, s), 6.88 (1H, d, J = 3.7 Hz), 7.38 (1H, d, J = 3.7 Hz), 11.9 (1H, s); IR (Nujol) 1713 cm-1; APCI-MS m/z 201 [M + H]+.

[References]

[1] Organic letters, 2002, vol. 4, # 24, p. 4209 - 4212
[2] Patent: EP2103611, 2009, A1. Location in patent: Page/Page column 59-60
[3] New Journal of Chemistry, 2018, vol. 42, # 12, p. 10142 - 10147
[4] Patent: US5627198, 1997, A
[5] Patent: WO2011/58149, 2011, A1. Location in patent: Page/Page column 127
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