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243972-26-1

243972-26-1 Structure

243972-26-1 Structure
IdentificationBack Directory
[Name]

2-Amino-5-(tributylstannyl)-1,3-thiazole, N-BOC protected
[CAS]

243972-26-1
[Synonyms]

SKL1091
2-AMino-5-(tributylstannyl)-1,3-thiazole
2-(N-Boc-amino)-5-(tributylstannyl)thiazole
2-Amino-5-(tributylstannyl)-1,3-thiazole, N-BOC protected
2-Amino-5-(tributylstannyl)-1,3-thiazole, 2-BOC protected
tert-butyl N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate
tert-butyl N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamatepp
[5-(TRIBUTYLSTANNYL)THIAZOL-2-YL]CARBAMIC ACID TERT-BUTYL ESTER
Carbamic acid, N-[5-(tributylstannyl)-2-thiazolyl]-, 1,1-dimethylethyl ester
{2-[(tert-Butoxycarbonyl)amino]-1,3-thiazol-5-yl}tributylstannane, tert-Butyl [5-(tributylstannyl)-1,3-thiazol-2-yl]carbamate
[Molecular Formula]

C20H38N2O2SSn
[MDL Number]

MFCD07787377
[MOL File]

243972-26-1.mol
[Molecular Weight]

489.3
Chemical PropertiesBack Directory
[Melting point ]

78-86°C
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[form ]

solid
[pka]

5.24±0.70(Predicted)
[Appearance]

White to off-white Solid
[InChI]

1S/C8H11N2O2S.3C4H9.Sn/c1-8(2,3)12-7(11)10-6-9-4-5-13-6;3*1-3-4-2;/h4H,1-3H3,(H,9,10,11);3*1,3-4H2,2H3;
[InChIKey]

WBQYLGCBVADFPD-UHFFFAOYSA-N
[SMILES]

CCCC[Sn](CCCC)(CCCC)c1cnc(NC(=O)OC(C)(C)C)s1
Safety DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)Health Hazard (GHS08)Environment (GHS09)
GHS06,GHS08,GHS09
[Signal word ]

Danger
[Hazard statements ]

H301-H312-H315-H319-H360FD-H372-H410
[Precautionary statements ]

P202-P273-P280-P301+P310-P302+P352+P312-P305+P351+P338
[Hazard Codes ]

T,N
[Risk Statements ]

21-25-36/38-48/23/25-50/53
[Safety Statements ]

36/37/39-45-60-61
[RIDADR ]

UN 3146 6.1 / PGIII
[WGK Germany ]

3
[HS Code ]

2934100090
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Oral
Acute Tox. 4 Dermal
Aquatic Acute 1
Aquatic Chronic 1
Eye Irrit. 2
Repr. 1B
Skin Irrit. 2
STOT RE 1
Spectrum DetailBack Directory
[Spectrum Detail]

2-Amino-5-(tributylstannyl)-1,3-thiazole, N-BOC protected(243972-26-1)1HNMR
Hazard InformationBack Directory
[Synthesis]

Tributyltin chloride

1461-22-9

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

170961-15-6

2-Amino-5-(tributylstannyl)-1,3-thiazole, N-BOC protected

243972-26-1

Step 2: tert-butyl thiazole-2-carbamate (1.0 g, 5.0 mmol) was dissolved in tetrahydrofuran (THF) and cooled to -78 °C. To this solution, freshly prepared lithium diisopropylammonium (LDA, 2.1 eq.) was slowly added and the reaction mixture was stirred at this temperature for 1 hour. Subsequently, tributyltin chloride (1.62 g, 5.0 mmol) was added dropwise and stirring was continued at -78 °C for 24 hours. Upon completion of the reaction, the reaction was quenched by the addition of 100 mL of saturated aqueous ammonium chloride (NH4Cl) and extracted with ethyl acetate (EtOAc, 3 x 100 mL). The organic layers were combined, washed with saturated brine, dried over anhydrous sodium sulfate (Na2SO4), and concentrated under reduced pressure to afford tert-butyl (5-(tributylstannyl)thiazol-2-yl)carbamate as a brown solid (2.25 g, 92% yield). Electrospray ionization mass spectrometry (ESIMS): m/z 491 ([M+H]+).

[References]

[1] Patent: WO2014/16849, 2014, A2. Location in patent: Page/Page column 121; 122
[2] Patent: WO2010/83246, 2010, A1. Location in patent: Page/Page column 65; 66
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