5-Bromo-2,4-bis(1,1-dimethylethoxy)pyrimidine

HCID 818851

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Grundinformationen

CAS: 19752-61-5
Standard-SMILES: CC(C)(C)Oc1ncc(Br)c(OC(C)(C)C)n1
InChIKey: MAWUVEDTRZARNC-UHFFFAOYSA-N
Summenformel: C12H19BrN2O2
Durchschnittliche Molmasse: 303,2 g/mol
Monoisotopische Masse: 302,06298995

Namen und Bezeichner

Bevorzugter Name: 5-Bromo-2,4-bis(1,1-dimethylethoxy)pyrimidine
IUPAC: 5-bromo-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine
Englischer Name: 2,4-Di-(tert-butoxy)-5-bromopyrimidine
Summenformel: C12H19BrN2O2
Molmasse: 303.2

Namen und Synonyme

19752-61-55-bromo-2,4-bis(1,1-dimethylethoxy)pyrimidine5-Bromo-2,4-bis[1,1-dimethylethoxy]pyrimidineRefChem:10727025-bromo-2,4-di-tert-butoxypyrimidine5-Bromo-2,4-di(tert-butoxy)pyrimidine5-bromo-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine5-Bromo-2,4-di-(tert-butoxy)pyrimidine2,4-DI-(TERT-BUTOXY)-5-BROMOPYRIMIDINEMFCD01927527C12H19BrN2O2Pyrimidine, 5-bromo-2,4-bis(1,1-dimethylethoxy)-

Weitere Namen anzeigen

IFLAB-BB F1371-01512,4-DI-T-BUTOXY-5-BROMO-PYRIMIDINEOxirane, 2-[14-(phenylMethoxy)ethyl]-5-Bromo-2,4-di-(tert-butoxy)pyrimidine 95%Benzaldehyde,4-(4,6-dichloro-1,3,5-triazin-4-yl)-

5-bromo-2,4-bis(tert-butoxy)pyrimidineMLS000066854SCHEMBL896479CHEMBL1472479SCHEMBL30288939DTXSID20355988MAWUVEDTRZARNC-UHFFFAOYSA-NHMS1590L09

Datenbank-Bezeichner

CAS: 19752-61-5
PubChem CID: 818851
DTXSID: DTXSID20355988
ChEMBL: CHEMBL1472479
EC Number: 681-506-4
Nikkaji: J1.134.360K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,5
Polarare Oberfläche (TPSA): 44,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 4
Schwere Atome: 17
Formalladung: 0
Komplexität: 248

Physikochemische Eigenschaften

Schmelzpunkt: 58 · 58-61°C
Siedepunkt: 352 · 352.0±45.0 °C(Predicted)
Dichte: 1.267 · 1.267±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: DCM, Ethyl Acetate, Methanol
pka: 1.73 · 1.73±0.29(Predicted)
Aggregatzustand: Solid
Farbe: White
InChI: InChI=1S/C12H19BrN2O2/c1-11(2,3)16-9-8(13)7-14-10(15-9)17-12(4,5)6/h7H,1-6H3
InChIKey: MAWUVEDTRZARNC-UHFFFAOYSA-N
SMILES: C1(OC(C)(C)C)=NC=C(Br)C(OC(C)(C)C)=N1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Sicherheitsdaten

hs_code: 2933998090

Chemie und Industrie

Anwendungen

Verwenden5-Bromo-2,4-bis(1,1-dimethylethoxy)pyrimidine is an intermediate in the synthesis of β-Pseudouridine (O839607), an isomer of the nucleoside uridine found in all species and in many classes of RNA except mRNA.