2,4-Dichloro-5-nitropyrimidine

Bezeichnung:2,4-Dichloro-5-nitropyrimidine

CAS-Nr49845-33-2

Englisch Name:2,4-Dichloro-5-nitropyrimidine

CBNumberCB4148131

SummenformelC4HCl2N3O2

Molgewicht193.98

MOL-Datei49845-33-2.mol

2,4-Dichloro-5-nitropyrimidine physikalisch-chemischer Eigenschaften

Schmelzpunkt	28-32 °C
Siedepunkt	0.9 °C0.5 mm Hg
Dichte	2.0263 (rough estimate)
Brechungsindex	1.6100 (estimate)
Flammpunkt	>230 °F
storage temp.	Inert atmosphere,Store in freezer, under -20°C
Löslichkeit	Chloroform (Slightly), Methanol (Slightly)
pka	-6.02±0.29(Predicted)
Aggregatzustand	Liquid or Low Melting Solid
Farbe	Clear yellow
Sensitive	Moisture Sensitive
InChI	InChI=1S/C4HCl2N3O2/c5-3-2(9(10)11)1-7-4(6)8-3/h1H
InChIKey	INUSQTPGSHFGHM-UHFFFAOYSA-N
SMILES	C1(Cl)=NC=C([N+]([O-])=O)C(Cl)=N1
CAS Datenbank	49845-33-2(CAS DataBase Reference)

Sicherheit

Kennzeichnung gefährlicher	Xi
R-Sätze:	36/37/38
S-Sätze:	26-36
WGK Germany	3
Hazard Note	Irritant/Moisture Sensitive/Keep under Argon
HazardClass	IRRITANT, LACHRYMATOR
HS Code	29335990
Speicherklasse	11 - Combustible Solids
Hazard Classifications	Eye Irrit. 2 Skin Irrit. 2 STOT SE 3

Gefahreninformationscode (GHS)

2,4-Dichloro-5-nitropyrimidine Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R36/37/38:Reizt die Augen, die Atmungsorgane und die Haut.
S-Sätze Betriebsanweisung:
S26:Bei Berührung mit den Augen sofort gründlich mit Wasser abspülen und Arzt konsultieren.
S36:DE: Bei der Arbeit geeignete Schutzkleidung tragen.
Chemische Eigenschaften
Yellow Solid
Verwenden
Intermediate in a solid-phase synthesis of diaminopurines.1
Verwenden
2,4-Dichloro-5-nitropyrimidine (cas# 49845-33-2) is a compound useful in organic synthesis.
Anticancer Research
Molecular docking analysis has shown that 2,4-dichloro-5-nitropyrimidine can bind to EGF receptor sites on the surface of tumor cells, thereby inhibiting their growth.
Synthese

611-08-5

49845-33-2

General procedure for the synthesis of 2,4-dichloro-5-nitropyrimidine from 5-nitropyrimidine-2,4(1H,3H)-dione: 5-nitrouracil (6.28 g, 0.040 mol) was mixed with phosphorus triclosan (26 mL), and N,N-dimethylaniline (8 mL) was slowly added under stirring conditions. The reaction mixture was then heated to 110 °C and maintained at this temperature for 8 hours. Upon completion of the reaction, the excess trichlorophosphorus was removed by distillation. The remaining mixture was ground and separated by silica gel column chromatography. Finally, the collected fractions were concentrated to give 6.2 g of yellow oily liquid product in 94% yield.
Einzelnachweise
[1] Patent: CN106432239, 2017, A. Location in patent: Paragraph 0066; 0071; 0072
[2] Journal of Heterocyclic Chemistry, 2012, vol. 49, # 2, p. 321 - 328
[3] Tetrahedron Letters, 2006, vol. 47, # 50, p. 8897 - 8900
[4] Patent: WO2010/83645, 2010, A1. Location in patent: Page/Page column 27
[5] Patent: US7256196, 2007, B1. Location in patent: Page/Page column 8; 9-10

2,4-Dichloro-5-nitropyrimidine Upstream-Materialien And Downstream Produkte

2,4-Dichloro-5-nitropyrimidine Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

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