Introduction：Basic information about 4-Nitrophenethylamine hydrochloride CAS 29968-78-3, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
4-Nitrophenethylamine hydrochloride Basic information
| Product Name: | 4-Nitrophenethylamine hydrochloride |
| Synonyms: | 4-NitrophenylethylaMineydrochlorideSynonyMs 2-(4-Nitrophenyl)ethylaMine hydrochloride;4- nitrobenzeneethylaMine hydrochloride;4-NitrophenylethylaMine HCl ( SM of Mirabegron );P-nitrophenyl riMantadine hydrochloride;4-NitrophenylethylaMinehydrochlorideSynonyMs 2-(4-Nitrophenyl)ethylaMine hydrochloride;β-(p-Nitrophenyl)ethylamine hydrochloride;4-Nitrophenethylamine hydrochloride 95%;4-NITROPHENYLETHYLAMINE HCL |
| CAS: | 29968-78-3 |
| MF: | C8H11ClN2O2 |
| MW: | 202.64 |
| EINECS: | 249-980-3 |
| Product Categories: | Nitro / Nitriles;Anilines, Aromatic Amines and Nitro Compounds;Benzene derivatives;pharmacetical;API intermediates;1;29968-78-3 |
| Mol File: | 29968-78-3.mol |
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4-Nitrophenethylamine hydrochloride Chemical Properties
| Melting point | 200 °C (dec.)(lit.) |
| storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
| solubility | Soluble in methanol almost transparency. |
| form | Crystalline Powder |
| color | Yellow to yellow-green |
| BRN | 3568915 |
| Stability: | Hygroscopic |
| InChI | InChI=1S/C8H10N2O2.ClH/c9-6-5-7-1-3-8(4-2-7)10(11)12;/h1-4H,5-6,9H2;1H |
| InChIKey | JVMHULJEYUQYSH-UHFFFAOYSA-N |
| SMILES | C1([N+]([O-])=O)C=CC(CCN)=CC=1.Cl |
| CAS DataBase Reference | 29968-78-3(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xn |
| Risk Statements | 36/37/38-40 |
| Safety Statements | 22-24/25-36-26 |
| WGK Germany | 3 |
| HS Code | 29214990 |
| Storage Class | 11 - Combustible Solids |
4-Nitrophenethylamine hydrochloride Usage And Synthesis
| Chemical Properties | yellow to brown crystalline powder and chunks |
| Uses | 4-Nitrophenethylamine hydrochloride was used in the synthesis of ortho-metalated primary phenethylamines complexes containing six-membered palladacycles and N-(4-nitrophenethyl)formamide. |
| Preparation | The preparation of 4-Nitrophenethylamine hydrochloride is as follows:Ten mL of 2M HCl was then added in a one-pot fashion, and, in all cases but threonine, the reaction vessel was heated to 190°Cover 5 min with stirring and then allowed to cool. In the case of the temperature-sensitive threonine, soxhlet extraction with toluene was performed at 80°C to remove R-carvone from the reaction mixture. The aqueous reaction mixture was washed three times with 25 mL of ether, and then water solvent was distilled off from the hydrochloride salt. The hydrochloride salt was transferred to a vacuum oven and dried overnight at 150 °C and 10 Torr. |
| Synthesis | 6270-07-1 29968-78-3 In a reactor, 140 kg of N-(4-nitrophenylethyl)acetamide was dissolved in 190 kg of ethanol with constant stirring until complete dissolution. The pH of the reaction mixture was adjusted to 1 using 2 mol/L hydrochloric acid solution.Subsequently, the reaction mixture was heated to 80°C and maintained at this temperature for 20 hrs. Upon completion of the reaction, the reaction solution was cooled to room temperature to induce precipitation of the solid product. The crude product was purified by recrystallization through methanol, and after filtration and centrifugation, 116 kg of 4-nitrophenylethylamine hydrochloride was obtained, and the purity of the final product was 99.6%. The yield of this synthesis step was 84.7%. |
| References | [1] Patent: CN107759477, 2018, A. Location in patent: Paragraph 0063 |
4-Nitrophenethylamine hydrochloride Preparation Products And Raw materials
| Raw materials | Benzene, 1-(2-azidoethyl)-4-nitro--->4-Nitrobenzeneethanol-->4-Nitro-3-phenyl-L-alanine-->N-ACETYL-2-(4-NITROPHENYL)ETHYLAMINE-->Propanamide, N-[2-(4-nitrophenyl)ethyl]--->Hydrochloric acid-->Ethanol-->Water |
| Preparation Products | 4-NITRO-PHENETHYLAMINE-->(alphaR)-alpha-Hydroxy-N-[2-(4-nitrophenyl)ethyl]benzeneacetamide-->(alphaR)-alpha-[[[2-(4-Aminophenyl)ethyl]amino]methyl]benzenemethanol hydrochloride |
