3-Hydroxy-4-methoxyphenethylamine hydrochloride

Base Information

• Chemical Name: 3-Hydroxy-4-methoxyphenethylamine hydrochloride
• CAS No.: 645-33-0
• Molecular Formula: C9H14ClNO2
• Molecular Weight: 203.669
• Hs Code.: 29222990
• European Community (EC) Number: 211-437-3
• UNII: 5CP13H7TI9
• ChEMBL ID: CHEMBL1526852
• DSSTox Substance ID: DTXSID30983059
• NSC Number: 131752
• Wikidata: Q27261840
• Mol file: 645-33-0.mol

Synonyms:3-hydroxy-4-methoxyphenethylamine;3-hydroxy-4-methoxyphenethylamine hydrochloride

Chemical Property of 3-Hydroxy-4-methoxyphenethylamine hydrochloride

Chemical Property:

• Appearance/Colour: slightly beige fluffy powder
• Melting Point: 207-211 °C
• Boiling Point: 306.8 °C at 760 mmHg
• Flash Point: 139.3 °C
• PSA: 55.48000
• LogP: 2.40430
• Storage Temp.: −20°C
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 203.0713064
• Heavy Atom Count: 13
• Complexity: 130

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Hydroxy-4-methoxyphenethylamine hydrochloride ^*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

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)CCN)O.Cl
• Uses: 3-Hydroxy-4-methoxyphenethylamine Hydrochloride is a derivative of Dopamine (D533780), an endogenous catecholamine with α and β-adrenergic activity. Cardiotonic; antihypotensive.

Technology Process of 3-Hydroxy-4-methoxyphenethylamine hydrochloride

There total 1 articles about 3-Hydroxy-4-methoxyphenethylamine 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: 91.0%

2-(3-hydroxy-4-methoxyphenyl)-1-nitroethene (39816-35-8) → 3-hydroxy-4-methoxy-β-phenethylamine hydrochloride (645-33-0)

Guidance literature:

With hydrogenchloride; hydrogen; palladium on activated charcoal; In ethanol; at 0 ℃; under 760 Torr;

DOI:10.1246/bcsj.63.1252

Reference yield: 100.0%

3-hydroxy-4-methoxy-β-phenethylamine hydrochloride (645-33-0) + (2R)-2-{[(tert-butoxy)carbonyl]amino}-4,4-dimethylpentanoic acid (112695-98-4) → tert-butyl (R)-(1-((3-hydroxy-4-methoxyphenethyl)amino)-4,4-dimethyl-1-oxopentan-2-yl)carbamate

Guidance literature:

With triethylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In dichloromethane; at 20 ℃; Reagent/catalyst; Solvent;

Reference yield: 97.0%

3-hydroxy-4-methoxy-β-phenethylamine hydrochloride (645-33-0) + C31H31N3O9S (308359-33-3) → (1'R,6R,6aR,7R,13S,14R,16R)-5-(acetyloxy)-3',4',6,6a,7,13,14,16-octahydro-6',8-dihydroxy-7',9-dimethoxy-4,10,23-trimethyl-19-oxo-spiro[6,16-(epithiopropanoxymethano)-7,13-imino-12H-1,3-dioxolo[7,8]isoquino[3,2-b][3]benzazocine-20,1'(2'H)-isoquinoline]-14-carbonitrile (114899-80-8)

Guidance literature:

With sodium acetate; In ethanol; at 23 ℃; for 3h;

DOI:10.1021/ja0571794

upstream raw materials:

2-(3-hydroxy-4-methoxyphenyl)-1-nitroethene

Downstream raw materials:

1,2,3,4-tetrahydro-6-hydroxy-7-methoxy-isoquinoline-hydrochloride

5-(2-acetylamino-ethyl)-2-methoxy-phenol

rac-salsoline

salsoline-1-carboxylic acid

Refernces