| Identification | Back Directory | [Name]
2-PHENOXY-N-METHYLETHYLAMINE HYDROCHLORIDE | [CAS]
73604-31-6 | [Synonyms]
Phenol, 3-(aminomethyl)-
3-Hydroxybenzenemethanamine
3-Hydroxybenzylamine, >=97%
[(3-Hydroxyphenyl)methyl]amine
Metaraminol Bitartrate Impurity 31
2-PHENOXY-N-METHYLETHYLAMINE HYDROCHLORIDE
3-HYDROXYBENZYLAMINE[3-(AMINOMETHYL)PHENOL]
3-Hydroxybenzylamine, (3-Hydroxyphenyl)methylamine | [Molecular Formula]
C7H9NO | [MDL Number]
MFCD00460774 | [MOL File]
73604-31-6.mol | [Molecular Weight]
123.15 |
| Chemical Properties | Back Directory | [Melting point ]
174-176 | [Boiling point ]
264.7±15.0 °C(Predicted) | [density ]
1.141±0.06 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Inert atmosphere,Room temperature | [form ]
powder | [pka]
9.86±0.10(Predicted) | [color ]
Faint beige to faint brown | [Water Solubility ]
Soluble in water and ethanol. | [Sensitive ]
Air Sensitive | [InChI]
InChI=1S/C7H9NO/c8-5-6-2-1-3-7(9)4-6/h1-4,9H,5,8H2 | [InChIKey]
JNZYADHPGVZMQK-UHFFFAOYSA-N | [SMILES]
C1(O)=CC=CC(CN)=C1 | [CAS DataBase Reference]
73604-31-6 |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [RIDADR ]
UN3259 | [Hazard Note ]
Irritant | [HazardClass ]
8 | [HazardClass ]
IRRITANT | [HS Code ]
2922290090 |
| Hazard Information | Back Directory | [Uses]
3-Hydroxybenzylamine is used as pharmaceutical intermediate. | [Definition]
ChEBI: 3-(aminomethyl)phenol is an aromatic amine. | [Synthesis]
Under nitrogen protection, 10.0 g of 3-hydroxybenzonitrile (Compound 1) and 1 g of Ruanne nickel were added to a 500 mL three-necked flask and 200 mL of methanol was injected to displace the hydrogen atmosphere. The reaction system was stirred overnight at room temperature. The reaction process was monitored by thin layer chromatography (TLC). Upon completion of the reaction, the reaction mixture was filtered through a diatomaceous earth pad to remove the catalyst. The filtrate was concentrated under reduced pressure to give 10 g of 3-(aminomethyl)phenol (compound 2) as a white solid in 97% yield. High performance liquid chromatography (HPLC) analysis showed the product to be 97% pure and could be used in subsequent reactions without further purification. | [References]
[1] Patent: CN107266341, 2017, A. Location in patent: Paragraph 0045-0048
[2] European Journal of Medicinal Chemistry, 2018, vol. 150, p. 757 - 770
[3] Patent: EP696593, 1996, A2
[4] Journal of the Chemical Society - Series Chemical Communications, 1986, vol. No. 2, p. 158 - 160 |
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