3-Hydroxyazetidine hydrochloride

Bezeichnung:3-Hydroxyazetidine hydrochloride

CAS-Nr18621-18-6

Englisch Name:3-Hydroxyazetidine hydrochloride

CBNumberCB0455455

SummenformelC3H8ClNO

Molgewicht109.55

MOL-Datei18621-18-6.mol

3-Hydroxyazetidine hydrochloride physikalisch-chemischer Eigenschaften

Schmelzpunkt	85-90 °C
storage temp.	Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit	DMSO (Slightly), Methanol (Slightly), Water (Slightly)
Aggregatzustand	Solid
Farbe	White to Off-White
Wasserlöslichkeit	Soluble in water, DMSO, methanol.
Sensitive	Hygroscopic
Stabilität	Hygroscopic
InChI	InChI=1S/C3H7NO.ClH/c5-3-1-4-2-3;/h3-5H,1-2H2;1H
InChIKey	UQUPQEUNHVVNKW-UHFFFAOYSA-N
SMILES	C1(O)CNC1.Cl
CAS Datenbank	18621-18-6(CAS DataBase Reference)

Sicherheit

Kennzeichnung gefährlicher	C,Xi,Xn
R-Sätze:	36/37/38-41-37/38-22
S-Sätze:	26-36/37/39
RIDADR	UN1759
WGK Germany	3
Hazard Note	Harmful/Corrosive
HazardClass	IRRITANT
HS Code	29339900
Speicherklasse	11 - Combustible Solids
Hazard Classifications	Acute Tox. 4 Oral Eye Dam. 1 Skin Irrit. 2 STOT SE 3

Gefahreninformationscode (GHS)

3-Hydroxyazetidine hydrochloride Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R36/37/38:Reizt die Augen, die Atmungsorgane und die Haut.
R41:Gefahr ernster Augenschäden.
R37/38:Reizt die Atmungsorgane und die Haut.
R22:Gesundheitsschädlich beim Verschlucken.
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.
Beschreibung
3-hydroxyazaecyclobutane hydrochloride is an azaecyclobutane compound that is an important intermediate in the synthesis of Brectinib, which is obtained through a multi-step reaction. Brectinib was approved by the European Union. The monotherapy or in combination with methotrexate for the treatment of adult patients with moderate to severe active rheumatoid arthritis with inadequate or intolerant relief from one or more antirheumatic drugs. It is also the first JAK inhibitor approved in the European Union for the treatment of rheumatoid arthritis.
Chemische Eigenschaften
white crystal
Verwenden
3-Hydroxyazetidine hydrochloride is an building block used in a recent synthesis of a fluoroquinolone antibiotic and a useful intermediate in the synthesis of polypeptides.
Synthese
A solution of l-(diphenylmethyl)-3-hydroxy azetidine hydrochloride (11.8 g) in absolute ethanol (700 mL) was hydrogenated at room temperature over Pd(OH)2/C in a Parr shaker (4 atm). After 12 hr the catalyst was filtered off and the filtrate evaporated to dryness to give3-hydroxyazetidine hydrochloride (4.20 g, 94%).
IC 50
Non-cleavable Linker
Einzelnachweise
[1] Journal of Antibiotics, 2006, vol. 59, # 4, p. 241 - 247
[2] Journal of Medicinal Chemistry, 2008, vol. 51, # 15, p. 4601 - 4608
[3] Patent: WO2007/118830, 2007, A1. Location in patent: Page/Page column 91
[4] Patent: US2006/46991, 2006, A1. Location in patent: Page/Page column 57-58
[5] Patent: WO2006/21881, 2006, A2. Location in patent: Page/Page column 62; 63

3-Hydroxyazetidine hydrochloride Upstream-Materialien And Downstream Produkte

3-Hydroxyazetidine hydrochloride Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

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