2-PHENOXY-N-METHYLETHYLAMINE HYDROCHLORIDE Chemical Properties

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

pka

9.86±0.10(Predicted)

form 

powder

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 Information

Hazard Codes 

Xi

RIDADR 

UN3259

Hazard Note 

Irritant

HazardClass 

8

HS Code 

2922290090

2-PHENOXY-N-METHYLETHYLAMINE HYDROCHLORIDE Usage And Synthesis

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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