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CAS No.: | 29968-78-3 |
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Name: | 4-Nitrophenethylamine hydrochloride |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C8H11ClN2O2 |
Molecular Weight: | 202.641 |
Synonyms: | Benzeneethanamine,4-nitro-, monohydrochloride (9CI);Phenethylamine, p-nitro-, monohydrochloride(8CI);4-Nitrobenzeneethanaminemonohydrochloride;p-Nitrophenethylaminehydrochloride;b-(p-Nitrophenyl)ethylaminehydrochloride; |
EINECS: | 249-980-3 |
Density: | 1.206 g/cm3 |
Melting Point: | 200 °C (dec.)(lit.) |
Boiling Point: | 307.2 °C at 760 mmHg |
Flash Point: | 139.6 °C |
Appearance: | light yellow crystal |
Hazard Symbols: | Xn |
Risk Codes: | 36/37/38-40 |
Safety: | 22-24/25-36-26 |
PSA: | 71.84000 |
LogP: | 3.12150 |
1-azido-2-(4'-nitrophenyl)ethane
2-(4-nitrophenyl)ethylamine monohydrochloride
Conditions | Yield |
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Stage #1: 1-azido-2-(4'-nitrophenyl)ethane With 1,3-diphenyl-disiloxane; triphenylphosphine at 20℃; for 24h; Staudinger Azide Reduction; Stage #2: With water Stage #3: With hydrogenchloride In 1,4-dioxane chemoselective reaction; | 99% |
Stage #1: 1-azido-2-(4'-nitrophenyl)ethane With triphenylphosphine at 110℃; for 20h; Staudinger Azide Reduction; Green chemistry; Stage #2: With hydrogenchloride In 1,4-dioxane; diethyl ether Reagent/catalyst; Solvent; Green chemistry; | 91% |
N-<2-(4-nitrophenyl)ethyl>acetamide
2-(4-nitrophenyl)ethylamine monohydrochloride
Conditions | Yield |
---|---|
With hydrogenchloride In ethanol; water for 20h; pH=1; Reflux; Large scale; | 84.7% |
C11H14N2O3
2-(4-nitrophenyl)ethylamine monohydrochloride
Conditions | Yield |
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With hydrogenchloride In methanol; water for 15h; pH=3; Solvent; pH-value; Reflux; Large scale; | 82.4% |
2-(4-nitrophenyl)ethylamine monohydrochloride
Conditions | Yield |
---|---|
With hydrogenchloride In methanol; water for 5h; pH=1; Reflux; Large scale; | 81.2% |
2-(4-nitrophenyl)ethylamine monohydrochloride
Conditions | Yield |
---|---|
With hydrogenchloride In propan-1-ol at 190℃; for 0.0833333h; Microwave irradiation; Green chemistry; | 74% |
2-phenylethylamine hydrochloride
2-(4-nitrophenyl)ethylamine monohydrochloride
Conditions | Yield |
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With nitric acid |
phenethylamine
2-(4-nitrophenyl)ethylamine monohydrochloride
Conditions | Yield |
---|---|
With hydrogenchloride; sulfuric acid; nitric acid 2) ether; Multistep reaction; |
4-nitro-3-phenyl-L-alanine
2-(4-nitrophenyl)ethylamine monohydrochloride
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: propan-1-ol / 20 - 190 °C / Green chemistry 2: hydrogenchloride / propan-1-ol / 0.08 h / 190 °C / Microwave irradiation; Green chemistry View Scheme |
2-(4-nitrophenyl)ethanol
2-(4-nitrophenyl)ethylamine monohydrochloride
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1.1: triethylamine / dichloromethane / 5.5 h / -30 - 20 °C / Inert atmosphere 2.1: sodium azide / N,N-dimethyl-formamide / 20 h / 23 °C 3.1: triphenylphosphine / 20 h / 110 °C / Green chemistry 3.2: Green chemistry View Scheme |
<(p-Nitrophenyl)ethyl>-β-sulfonic ester
2-(4-nitrophenyl)ethylamine monohydrochloride
Conditions | Yield |
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Multi-step reaction with 2 steps 1.1: sodium azide / N,N-dimethyl-formamide / 20 h / 23 °C 2.1: triphenylphosphine / 20 h / 110 °C / Green chemistry 2.2: Green chemistry View Scheme |
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The Benzeneethanamine,4-nitro-, hydrochloride (1:1), with the CAS registry number 29968-78-3, is also known as 4-Nitrophenethylamine HCl. It belongs to the product categories of Benzene Derivatives; Anilines, Aromatic Amines and Nitro Compounds; Pharmacetical; API Intermediates; Nitro / Nitriles. Its EINECS registry number is 249-980-3. This chemical's molecular formula is C8H11ClN2O2 and molecular weight is 202.63814. Its IUPAC name is called 2-(4-nitrophenyl)ethanamine hydrochloride. This chemical is used for pharmaceutical intermediates.
Physical properties of Benzeneethanamine,4-nitro-, hydrochloride (1:1): (1)ACD/LogP: 1.19; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1.64; (6)#H bond acceptors: 4; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 4; (9)Flash Point: 139.6 °C; (10)Enthalpy of Vaporization: 54.78 kJ/mol; (11)Boiling Point: 307.2 °C at 760 mmHg; (12)Vapour Pressure: 0.000737 mmHg at 25°C.
Uses of Benzeneethanamine,4-nitro-, hydrochloride (1:1): it can be used to produce N-[2-(4-nitrophenyl)ethyl]-4-chlorobutylamide at ambient temperature. This reaction will need reagent Et3N and solvent tetrahydrofuran with reaction time of 48 hours. The yield is about 52%.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC=C1CCN)[N+](=O)[O-].Cl
(2)InChI: InChI=1S/C8H10N2O2.ClH/c9-6-5-7-1-3-8(4-2-7)10(11)12;/h1-4H,5-6,9H2;1H
(3)InChIKey: JVMHULJEYUQYSH-UHFFFAOYSA-N