4,6-Diaminopyrimidin-2-thiol

Bezeichnung:4,6-Diaminopyrimidin-2-thiol

CAS-Nr1004-39-3

Englisch Name:4,6-DIAMINO-2-MERCAPTOPYRIMIDINE

CBNumberCB6104029

SummenformelC4H6N4S

Molgewicht142.18

MOL-Datei1004-39-3.mol

Synonyma

4,6-Diaminopyrimidin-2-thiol

4,6-Diaminopyrimidin-2-thiol physikalisch-chemischer Eigenschaften

Schmelzpunkt	>300 °C(lit.)
Siedepunkt	289.1±43.0 °C(Predicted)
Dichte	1.78±0.1 g/cm3(Predicted)
storage temp.	Store below +30°C.
Löslichkeit	1 M NaOH: soluble2%
Aggregatzustand	Solid
pka	11.81±0.10(Predicted)
Farbe	Pale Beige to Light Brown
BRN	124937
Stabilität	Hygroscopic
InChI	1S/C4H6N4S/c5-2-1-3(6)8-4(9)7-2/h1H,(H5,5,6,7,8,9)
InChIKey	QCAWOHUJKPKOMD-UHFFFAOYSA-N
SMILES	S=[c]1[nH]c(cc(n1)N)N
CAS Datenbank	1004-39-3(CAS DataBase Reference)
NIST chemische Informationen	2-Thiol-4,6-diamino-pyrimidine(1004-39-3)
EPA chemische Informationen	2(1H)-Pyrimidinethione, 4,6-diamino- (1004-39-3)

Sicherheit

R-Sätze:	36/37/38
S-Sätze:	26-36/37/39
WGK Germany	3
RTECS-Nr.	MB7660000
TSCA	TSCA listed
HS Code	2933 59 95
Speicherklasse	11 - Combustible Solids
Hazard Classifications	Eye Irrit. 2 Skin Irrit. 2

Gefahreninformationscode (GHS)

4,6-DIAMINO-2-MERCAPTOPYRIMIDINE 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.
S36/37/39:Bei der Arbeit geeignete Schutzkleidung,Schutzhandschuhe und Schutzbrille/Gesichtsschutz tragen.
Chemische Eigenschaften
Brown-Grey Solid
Verwenden
2-Thioadenosine derivatives have been known to exhibit several pharmacological activities such as platelet aggregation inhibition and coronary vasodilation.
Allgemeine Beschreibung
4,6-Diamino-2-mercaptopyrimidine hydrate on oxidation with hydrogen peroxide gives sulphinic acid.
Synthese

17356-08-0

109-77-3

1004-39-3

Sodium methanolate (540 g, 9.98 mol) was dissolved in 2 L of methanol, followed by the sequential addition of thiourea (190 g, 2.50 mol) and malononitrile (412 g, 6.24 mol). The reaction mixture was stirred at 40 °C for 30 hours. After completion of the reaction, the mixture was cooled to room temperature and the solid was collected by filtration. The filter cake was dissolved in 3.5 L of water and the pH of the solution was adjusted with acetic acid to about 7. The solid product was collected by filtration again and dried to give 334 g of light yellow solid in 94% yield.
Einzelnachweise
[1] Patent: CN107973798, 2018, A. Location in patent: Paragraph 0113-0114; 0119; 0122; 0123-0125; 0128
[2] Patent: CN107973832, 2018, A. Location in patent: Paragraph 0066; 0108-0125
[3] Arzneimittel-Forschung/Drug Research, 2002, vol. 52, # 11, p. 792 - 796
[4] Chemical and Pharmaceutical Bulletin, 2012, vol. 60, # 1, p. 70 - 78
[5] Patent: CN103709164, 2016, B. Location in patent: Paragraph 0034; 0086; 0106

4,6-DIAMINO-2-MERCAPTOPYRIMIDINE Upstream-Materialien And Downstream Produkte

4,6-Diaminopyrimidin-2-thiol Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

1004-39-3, 4,6-DIAMINO-2-MERCAPTOPYRIMIDINE Verwandte Suche:

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