2-(Tributylstannyl)pyrimidine

HCID 2763251

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Grundinformationen

CAS: 153435-63-3
Standard-SMILES: CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[c]1ncccn1
InChIKey: WTFFOOAJSDVASL-UHFFFAOYSA-N
Summenformel: C16H30N2Sn
Durchschnittliche Molmasse: 369,1 g/mol
Monoisotopische Masse: 370,14309366

Namen und Bezeichner

Bevorzugter Name: 2-(Tributylstannyl)pyrimidine
IUPAC: tributyl(pyrimidin-2-yl)stannane
Englischer Name: 2-(Tributylstannyl)pyrimidine
Summenformel: C16H30N2Sn
Molmasse: 369.13

Namen und Synonyme

2-(tributylstannyl)pyrimidine153435-63-3DTXSID50376843RefChem:254849DTXCID10327871687-738-2tributyl(pyrimidin-2-yl)stannane2-TributylstannylpyrimidineMFCD013190852-(tributylstannanyl)pyrimidinePYRIMIDINE, 2-(TRIBUTYLSTANNYL)-2-Tributylstannanyl-pyrimidine

Weitere Namen anzeigen

SKL11262-tributyltinpyrMidine2-(tributyltin) pyrimidine-(Tributylstannyl)pyrimidineTributyl(2-pyrimidyl)stannanePyriMidine,2-(tributylstannyl)-ributyl(pyrimidin-2-yl)stannane2-(tri-n-butylstannyl)pyrimidine

tributyl(pyrimidinyl)tin2-tributylstannyl pyrimidine(tributylstannanyl)pyrimidine2-tributylstannanylpyrimidine(2-Pyrmidyl)tri-n-butyltin2-tributyl stannyl pyrimidineSCHEMBL1096682-tri-n-butylstannylpyrimidine

Datenbank-Bezeichner

CAS: 153435-63-3
PubChem CID: 2763251
DTXSID: DTXSID50376843
EC Number: 687-738-2
Nikkaji: J3.740.919G

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 25,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 10
Schwere Atome: 19
Formalladung: 0
Komplexität: 193

Physikochemische Eigenschaften

Siedepunkt: 381.2 · 381.2±25.0 °C(Predicted)
Dichte: 1.164 g/mL · 1.164 g/mL at 25 °C
Brechungsindex: 20 · n20/D1.512
Flammpunkt: 110 ℃ · >110℃
storage temp.: 2 · Sealed in dry,2-8°C
Löslichkeit: soluble in Methanol; Ethyl Acetate; Dichloromethane; Chloroform; DMF; DMSO
Aggregatzustand: liquid
pka: 1.42 · 1.42±0.33(Predicted)
Farbe: Colourless
InChI: InChI=1S/C4H3N2.3C4H9.Sn/c1-2-5-4-6-3-1;3*1-3-4-2;/h1-3H;3*1,3-4H2,2H3;
InChIKey: WTFFOOAJSDVASL-UHFFFAOYSA-N
SMILES: C1([Sn](CCCC)(CCCC)CCCC)=NC=CC=N1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (97.7%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P264, P264+P265, P270, P273, P280, P301+P316, P302+P352, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (97.7%)

Sicherheitsdaten

wgk: 3
ridadr: UN 2788 6.1 / PGIII
hs_code: 29339900
risk_code: 21-25-36/38-48/23/25-50/53
hazard_code: Xi,T,N
safety_code: 36/37/39-45-60-61-35
hazard_class: IRRITANT, TOXIC, KEEP COLD
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralAcute Tox. 4 DermalAquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Repr. 1BSkin Irrit. 2STOT RE 1

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2-(Tributylstannyl)pyrimidine is an organotin compound used in Stille coupling reaction. This can be used as one of the precursors in the synthesis of 2-aminopyridine oxazolidinones as potent and selective tankyrase (TNKS) inhibitors and the synthesis of canagliflozin, a novel inhibitor for sodium-dependent glucose cotransporter.It can also be used in the preparation of various (2-pyrimidyl)silanes.