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| CAS No.: | 5468-37-1 |
|---|---|
| Name: | 2-Aminoacetophenone hydrochloride |
| Article Data: | 51 |
| Molecular Structure: | |
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|
| Formula: | C8H9NO.HCl |
| Molecular Weight: | 171.626 |
| Synonyms: | Acetophenone,2-amino-, hydrochloride (8CI);Ethanone, 2-amino-1-phenyl-, hydrochloride(9CI);2-Amino-1-phenyl-1-ethanone hydrochloride;2-Amino-1-phenylethanonehydrochloride;Phenacylamine hydrochloride;alpha-Aminoacetophenone hydrochloride; |
| EINECS: | 226-787-2 |
| Density: | 1.084g/cm3 |
| Melting Point: | 194 °C (dec.)(lit.) |
| Boiling Point: | 247.3 °C at 760 mmHg |
| Flash Point: | 103.4 °C |
| Appearance: | off-white crystalline powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 37/39-26 |
| PSA: | 43.09000 |
| LogP: | 2.33030 |
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| Conditions | Yield |
|---|---|
| Stage #1: α-bromoacetophenone With hexamethylenetetramine In chloroform at 50℃; for 2h; Delepine Amine Synthesis; Stage #2: With hydrogenchloride In ethanol for 2h; Reflux; | 99% |
| Stage #1: α-bromoacetophenone With hexamethylenetetramine In diethyl ether at 20℃; for 12h; Delepine Amine Synthesis; Stage #2: With hydrogenchloride; water In ethanol for 3h; Reflux; | 97% |
| Stage #1: α-bromoacetophenone With hexamethylenetetramine In chloroform at 20℃; Stage #2: With hydrogenchloride In ethanol; water at 20℃; for 16h; | 94% |
| Conditions | Yield |
|---|---|
| With hydrogen; sulfided platinum on carbon In hydrogenchloride; ethanol at 50℃; under 760 Torr; for 2h; | 98% |
- 128038-38-0
C6H9NO4
- 5468-37-1
2-aminoacetophenone hydrochloride
| Conditions | Yield |
|---|---|
| With hydrogenchloride In ethanol; water for 48h; Ambient temperature; | 96% |
- 127118-86-9
2-diformylamino-1-phenylethanone
- 5468-37-1
2-aminoacetophenone hydrochloride
| Conditions | Yield |
|---|---|
| With hydrogenchloride; ethanol for 48h; Ambient temperature; | 95% |
| With hydrogenchloride In ethanol for 48h; Ambient temperature; Yield given; |
- 191104-42-4
L-2-methyl-4-N-benzoylpentaphenone
- 5468-37-1
2-aminoacetophenone hydrochloride
| Conditions | Yield |
|---|---|
| With hydrogenchloride In methanol Heating; 1; | 95% |
| Conditions | Yield |
|---|---|
| Stage #1: 2-azido-1-phenylethan-1-one With tin(II) chloride dihdyrate In methanol at 20℃; Inert atmosphere; Stage #2: With hydrogenchloride In methanol for 12h; Inert atmosphere; | 92% |
| With hydrogenchloride; hydrogen; palladium on activated charcoal In methanol under 2327.2 Torr; for 5h; Ambient temperature; | 86% |
- 38061-23-3, 81202-39-3
α-Phenylacyl amino acid methyl ester hydrochloride
- 5468-37-1
2-aminoacetophenone hydrochloride
| Conditions | Yield |
|---|---|
| With hydrogenchloride | 92% |
- 1386376-82-4
(R)-N-tert-butanesulfinyl 2-oxo-2-phenylethylamine
- 5468-37-1
2-aminoacetophenone hydrochloride
| Conditions | Yield |
|---|---|
| With hydrogenchloride In methanol at 20℃; for 1h; | 92% |
- 1386376-70-0
(R)-N-tert-butanesulfinyl 2,2-dimethoxy-2-phenylethylamine
- 5468-37-1
2-aminoacetophenone hydrochloride
| Conditions | Yield |
|---|---|
| With hydrogenchloride In methanol at 20℃; for 1h; | 90% |
| Multi-step reaction with 2 steps 1: trimethylsilyl trifluoromethanesulfonate / dichloromethane / 0.5 h / -78 °C 2: hydrogenchloride / methanol / 1 h / 20 °C View Scheme |
- 91994-49-9
2,2,2-trifluoro-N-(2-oxo-2-phenylethyl)acetamide
- 5468-37-1
2-aminoacetophenone hydrochloride
| Conditions | Yield |
|---|---|
| With hydrogenchloride In water; isopropyl alcohol at 40℃; | 89% |
| With potassium hydroxide at 20℃; for 0.25h; | 84% |
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Specification
The IUPAC name of 2-Aminoacetophenone hydrochloride is 2-amino-1-phenylethanone hydrochloride. With the CAS registry number 5468-37-1, it is also named as Ethanone, 2-amino-1-phenyl-, hydrochloride. The product's classification code is Drug / Therapeutic Agent. Besides, it is off-white crystalline powder, which should be stored in sealed, dark, cool and dry place at 4 °C. In addition, its molecular formula is C8H9NO.HCl and molecular weight is 171.62.
The other characteristics of this product can be summarized as: (1)EINECS: 226-787-2; (2)ACD/LogP: 0.81; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): -1.16; (5)ACD/LogD (pH 7.4): 0.46; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1.08; (8)ACD/KOC (pH 5.5): 1; (9)ACD/KOC (pH 7.4): 29.19; (10)#H bond acceptors: 2; (11)#H bond donors: 2; (12)#Freely Rotating Bonds: 3; (13)Polar Surface Area: 17.07 Å2; (14)Flash Point: 103.4 °C; (15)Melting Point: 194 °C; (16)Enthalpy of Vaporization: 48.45 kJ/mol; (17)Boiling Point: 247.3 °C at 760 mmHg; (18)Vapour Pressure: 0.0258 mmHg at 25 °C.
Preparation of 2-Aminoacetophenone hydrochloride: this chemical can be prepared by 2-Azido-1-phenyl-ethanone.
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This reaction needs HCl, H2, 10percent Pd/C and Methanol at ambient temperature for 5 hours. The yield is 86 %.
Uses of 2-Aminoacetophenone hydrochloride: this chemical is used as intermediate of oil-soluble color former. Similarly, it can react with Acetic acid anhydride to get N-Phenacyl-acetamide.
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The yield is 78 %.
When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear gloves and eye/face protection.
People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: C1=CC=C(C=C1)C(=O)CN.Cl
(2)InChI: InChI=1S/C8H9NO.ClH/c9-6-8(10)7-4-2-1-3-5-7;/h1-5H,6,9H2;1H
(3)InChIKey: CVXGFPPAIUELDV-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LDLo | intravenous | 350mg/kg (350mg/kg) | Quarterly Journal of Pharmacy & Pharmacology. Vol. 9, Pg. 203, 1936. |