Ethyl 1,4-dihydro-2-hydroxy-6-methyl-4-phenyl-5-pyrimidinecarboxylate

HCID 220272CAS 5395-36-8
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Grundinformationen

Standard-SMILES
CCOC(=O)C1=C(C)NC(=O)NC1c1ccccc1
InChIKey
URMNHHAUVFEMIG-UHFFFAOYSA-N
Summenformel
C14H16N2O3
Durchschnittliche Molmasse
260,29 g/mol
Monoisotopische Masse
260,11609238

Namen und Bezeichner

Bevorzugter Name
Ethyl 1,4-dihydro-2-hydroxy-6-methyl-4-phenyl-5-pyrimidinecarboxylate
IUPAC
ethyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
Englischer Name
2-Hydroxy-6-methyl-4-phenyl-1,4-dihydro-pyrimidine-5-carboxylic acid ethyl ester
Summenformel
C14H16N2O3
Molmasse
260.29

Namen und Synonyme

Ethyl 1,4-dihydro-2-hydroxy-6-methyl-4-phenyl-5-pyrimidinecarboxylateRefChem:593200637-265-25395-36-8ethyl 6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylateEthyl 6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydro-5-pyrimidinecarboxylateMFCD00124778ethyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylateNSC2780Maybridge1_0058515-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-6-methyl-2-oxo-4-phenyl-, ethyl ester6-Methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydro-pyriMidine-5-carboxylic Acid, Ethyl Ester
Weitere Namen anzeigen
NSC 5975NSC 2780NSC 24338NSC 14857ST5016018ST5451282MFCD0012477BAS 03148543
Oprea1_7244182-Hydroxy-6-Methyl-4-Phenyl-1,4-Dihydro-Pyrimidine-5-Carboxylic Acid Ethyl EsterCHEMBL507603HMS1673D07NSC-2780NSC24338STK068196AKOS000296710

Datenbank-Bezeichner

CAS
5395-36-8
PubChem CID
220272
DTXSID
DTXSID80277536
ChEMBL
CHEMBL507603
EC Number
637-265-2
Nikkaji
J51.383K

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,4
Polarare Oberfläche (TPSA)
67,4 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
4
Schwere Atome
19

Physikochemische Eigenschaften

Schmelzpunkt
202 · 202-203°C
Siedepunkt
203 · 203-205 °C
Dichte
1.169 · 1.169±0.06 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
Aggregatzustand
powder to crystal
pka
11.34 · 11.34±0.70(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (97.5%)；Eye Irrit. 2 (100%)

Sicherheitsdaten

hs_code
2933599590
hazard_code
Xi
hazard_class
IRRITANT

Chemie und Industrie

Anwendungen

Verwenden6-Methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic Acid, Ethyl Ester (cas# 5395-36-8) is a compound useful in organic synthesis.

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