Aminomethylphenylketonhydrochlorid

Bezeichnung:Aminomethylphenylketonhydrochlorid

Englisch Name:2-Aminoacetophenone hydrochloride

CBNumberCB6412186

SummenformelC8H10ClNO

Molgewicht171.62

Synonyma

Aminomethylphenylketonhydrochlorid

Aminomethylphenylketonhydrochlorid physikalisch-chemischer Eigenschaften

Schmelzpunkt	194 °C (dec.)(lit.)
storage temp.	Refrigerator (+4°C)
Löslichkeit	DMSO (Slightly), Methanol (Slightly), Water (Slightly)
Aggregatzustand	Crystals
Farbe	Slightly yellow to beige
BRN	3563173
Stabilität	Hygroscopic
InChI	InChI=1S/C8H9NO.ClH/c9-6-8(10)7-4-2-1-3-5-7;/h1-5H,6,9H2;1H
InChIKey	CVXGFPPAIUELDV-UHFFFAOYSA-N
SMILES	C(C1=CC=CC=C1)(=O)CN.[H]Cl
CAS Datenbank	5468-37-1(CAS DataBase Reference)
EPA chemische Informationen	Ethanone, 2-amino-1-phenyl-, hydrochloride (5468-37-1)

Sicherheit

Kennzeichnung gefährlicher	Xi
R-Sätze:	36/37/38
S-Sätze:	37/39-26-24/25
WGK Germany	3
RTECS-Nr.	AM5940000
TSCA	TSCA listed
HazardClass	IRRITANT
HS Code	29223990
Speicherklasse	11 - Combustible Solids

Gefahreninformationscode (GHS)

R-Sätze Betriebsanweisung:
R36/37/38:Reizt die Augen, die Atmungsorgane und die Haut.
S-Sätze Betriebsanweisung:
S37/39:Bei der Arbeit geeignete Schutzhandschuhe und Schutzbrille/Gesichtsschutz tragen.
S26:Bei Berührung mit den Augen sofort gründlich mit Wasser abspülen und Arzt konsultieren.
Chemische Eigenschaften
Off-white crystalline
Verwenden
Mixed Salt of α-Aminoacetophenone, used in the preparation og pseudopeptidic inhibitors of human sirtuins1-3. This action effectually displays antiproliferative protperties in cancer cells. Also used in the preparation of dual δ/μopiod receptor agonists.
Synthese
To a stirred solution of phenacyl bromide (1 mmol, 1 equiv) in diethyl ether (13 mL) was added hexamethylenetetramine (1 mmol, 1 equiv) all at once and the mixture was stirred for 12 h at room temperature. The resulting solid was filtered, washed with diethyl ether (15 mL), and dried under reduced pressure to afford the quaternary salt, which was next placed in a two-necked round-bottomed flask fitted with a reflux condenser, and EtOH (22 mL) was added to it. Concentrated HCl (0.6 mL) was added, and the mixture was refluxed for 3 h (solid formed). After cooling to room temperature, the solid was filtered, washed with EtOH (20 mL), and dried under vacuum to afford pure 2-Aminoacetophenone hydrochloride.
läuterung methode
Crystallise the salt from Me2CO /EtOH, EtOH/ Et2O, 2-propanol or 2-propanol and a little HCl (slowly after a fe

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