ChemicalBook--->CAS DataBase List--->5468-37-1

5468-37-1

5468-37-1 Structure

5468-37-1 Structure
IdentificationMore
[Name]

2-Aminoacetophenone hydrochloride
[CAS]

5468-37-1
[Synonyms]

2-AMINO-1-PHENYL-ETHANONE HYDROCHLORIDE
2-AMINOACETOPHENONE HYDROCHLORIDE
2-OXO-2-PHENYL-ETHYL-AMMONIUM, CHLORIDE
ALPHA-AMINOACETOPHENONE HYDROCHLORIDE
ETHANONE, 2-AMINO-1-PHENYL-, HYDROCHLORIDE
O-AMINOACETOPHENONE HYDROCHLORIDE
OMEGA-AMINOACETOPHENONE HYDROCHLORIDE
PHENACYLAMINE HYDROCHLORIDE
2-amino-1-phenyl-ethanonhydrochloride
2-amino-acetophenonhydrochloride
w-Aminoacetophenone hydrochloride
aminomethylphenylketone hydrochloride
2-Aminoacetophenone hydrochloride with 4% NaCl
w-Amino-acetophinone hydrochloride
ω-aminoacetophenone hydrochloride
OMEGA-AMINOACETOPHENONE HYDROCHLORIDE (CA. 4% NACL)
2-AMINOACETOPHENONE HYDROCHLORIDE 99%
O-aminoacetophenone HCl ,1-(o-aminophenyl)ethanone
ω-Aminoacetophenone hydrochloride, Phenacylamine hydrochloride
1-Phenyl-2-aminoethanone·hydrochloride
[EINECS(EC#)]

226-787-2
[Molecular Formula]

C8H10ClNO
[MDL Number]

MFCD00012873
[Molecular Weight]

171.62
[MOL File]

5468-37-1.mol
Chemical PropertiesBack Directory
[Appearance]

Off-white crystalline
[Melting point ]

194 °C (dec.)(lit.)
[storage temp. ]

Refrigerator (+4°C)
[solubility ]

DMSO (Slightly), Methanol (Slightly), Water (Slightly)
[form ]

Crystals
[color ]

Slightly yellow to beige
[BRN ]

3563173
[Stability:]

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 DataBase Reference]

5468-37-1(CAS DataBase Reference)
[EPA Substance Registry System]

5468-37-1(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[WGK Germany ]

3
[RTECS ]

AM5940000
[Hazard Note ]

Irritant
[TSCA ]

Yes
[HazardClass ]

IRRITANT
[HS Code ]

29223990
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanone, 2-azido-1-phenyl--->Formamide, N-formyl-N-(2-oxo-2-phenylethyl)--->DL-B-HYDROXYPHENETHYLAMINE HYDROCHLORIDE-->BENZOYLNITROMETHANE-->Glycine, N,N-diformyl-, ethyl ester-->2-Bromoacetophenone-->2-Chloroacetophenone
[Preparation Products]

4-PHENYLIMIDAZOLE-->(S)-1-(4-Phenyl-1H-imidazol-2-yl)ethanamine-->(S)-(-)-2-Phenylglycinol-->2-AMINO-1-PHENYLETHANOL-->1-Amino-2-phenylbutan-2-ol-->2-(5-PHENYLOXAZOL-2-YL)PHENOL-->4-Chloro-2,5-diphenyloxazole
Hazard InformationBack Directory
[Chemical Properties]

Off-white crystalline
[Uses]

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.
[Synthesis]

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.
2-Aminoacetophenone hydrochloride
[Purification Methods]

Crystallise the salt from Me2CO /EtOH, EtOH/ Et2O, 2-propanol or 2-propanol and a little HCl (slowly after a fe
Spectrum DetailBack Directory
[Spectrum Detail]

2-Aminoacetophenone hydrochloride(5468-37-1)MS
2-Aminoacetophenone hydrochloride(5468-37-1)1HNMR
2-Aminoacetophenone hydrochloride(5468-37-1)IR1
2-Aminoacetophenone hydrochloride(5468-37-1)IR2
2-Aminoacetophenone hydrochloride(5468-37-1)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Aminoacetophenone hydrochloride, 96%(5468-37-1)
[Alfa Aesar]

2-Aminoacetophenone hydrochloride, 98%(5468-37-1)
[Sigma Aldrich]

5468-37-1(sigmaaldrich)
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