3-(2-Aminoethyl)phenol hydrochloride

Base Information

• Chemical Name: 3-(2-Aminoethyl)phenol hydrochloride
• CAS No.: 3458-98-8
• Molecular Formula: C8H12ClNO
• Molecular Weight: 173.642
• Hs Code.: 2933599590
• European Community (EC) Number: 222-396-6,671-526-1
• DSSTox Substance ID: DTXSID20188137
• Mol file: 3458-98-8.mol

Synonyms:3458-98-8;3-(2-Aminoethyl)phenol hydrochloride;3-Hydroxyphenethylamine hydrochloride;m-Tyramine hydrochloride;Phenol, 3-(2-aminoethyl)-, hydrochloride;3-(2-aminoethyl)phenol;hydrochloride;3-Hydroxyphenethylamine, HCl;EINECS 222-396-6;3-hydroxy-benzeneethanaminhydrochloride;3-Hydroxyphenethylamine HCl;Benzeneethanamine, 3-hydroxy-, hydrochloride;MFCD00040591;3-(2-amino-ethyl)-phenol hydrochloride;3-Hydroxyphenethylaminehydrochloride;3-(2-AMINO-ETHYL)-PHENOL HCL;2-(3-hydroxyphenyl)ethylamine hydrochloride;SCHEMBL453247;Phenol,3-(2-aminoethyl)-,HCl;DTXSID20188137;3-hydroxy phenethylamine hydrochloride;AKOS004902386;CS-W002188;SY005806;TS-02394;LS-103912;AM20040226;FT-0608550;A18947;A822299;m-Tyramine hydrochloride, solid, >=98% (HPLC);J-019665;3-(2-aminoethyl)phenol hydrochloride;3-Hydroxyphenethylamine Hydrochloride

Chemical Property of 3-(2-Aminoethyl)phenol hydrochloride

Chemical Property:

• Appearance/Colour: off-white to tan solid
• Vapor Pressure: 0.00303mmHg at 25°C
• Melting Point: 162 °C
• Boiling Point: 275.5 °C at 760 mmHg
• Flash Point: 120.4 °C
• PSA: 46.25000
• Density: 1.103g/cm3
• LogP: 2.39570
• Storage Temp.: Hygroscopic, Refrigerator, under inert atmosphere
• Solubility.: H2O: ≥10 mg/mL
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 173.0607417
• Heavy Atom Count: 11
• Complexity: 95.3

Purity/Quality:

99% ^*data from raw suppliers

m-TyramineHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)O)CCN.Cl
• Uses: m-Tyramine Hydrochloride affects the firing pattern of Heobania vermiculata. Potential organ or tumor imaging agent.

Technology Process of 3-(2-Aminoethyl)phenol hydrochloride

There total 4 articles about 3-(2-Aminoethyl)phenol hydrochloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 92.0%

2-(3-methoxyphenyl)-1-ethanamine (2039-67-0) → 3-hydroxyphenylethylamine hydrochloride (3458-98-8)

Guidance literature:

With hydrogen bromide; at 135 - 140 ℃; for 0.75h;

DOI:10.1016/0022-1139(95)03259-G

Reference yield: 50.0%

norfenefrine (536-21-0) → 3-hydroxyphenylethylamine hydrochloride (3458-98-8)

Guidance literature:

With hydrogen; palladium on activated charcoal; In hydrogenchloride; for 30h; under 775.7 - 1810.02 Torr;

DOI:10.1021/jo00365a041

Reference yield: 49.0%

2-(3-benzyloxyphenyl)acetonitrile (20967-96-8) → 3-hydroxyphenylethylamine hydrochloride (3458-98-8)

Guidance literature:

2-(3-benzyloxyphenyl)acetonitrile; With hydrogen; Raney nickel; In methanol; at 70 ℃; under 45004.5 Torr;

With hydrogenchloride; In diethyl ether; ethyl acetate; at 20 ℃; for 0.166667h;

upstream raw materials:

norfenefrine

2-(3-methoxyphenyl)-1-ethanamine

3-methoxyphenylacetonitrile

2-(3-benzyloxyphenyl)acetonitrile

Downstream raw materials:

2-(5-Hydroxy-2-iodphenyl)aethylamin

N-(t-butoxycarbonyl)-2-(3-hydroxyphenyl)-ethylamine

Refernces

• 1、 -. "Chemokine receptor binding heterocyclic compounds". Page column 116. . Retrieved 2008/06/13.
• 2、 Bates, Hans A.,Bagheri, Kourosh,Vertino, Paula M.. "Effect of pH on the Regioselectivity of Pictet-Spengler Reactions of 3-Hydroxyphenethylamines with Formaldehyde and Acetaldehyde". . p. 3061 - 3063. Retrieved 2007/10/02.