Metanephrine hydrochloride

Base Information

• Chemical Name: Metanephrine hydrochloride
• CAS No.: 881-95-8
• Molecular Formula: C10H15NO3^.HCl
• Molecular Weight: 233.695
• Hs Code.: 2922509090
• European Community (EC) Number: 212-922-2,225-809-8
• UNII: D40947X4MO
• DSSTox Substance ID: DTXSID60965141
• Wikidata: Q27276061
• Mol file: 881-95-8.mol

Synonyms:881-95-8;Metanephrine hydrochloride;4-(1-Hydroxy-2-(methylamino)ethyl)-2-methoxyphenol hydrochloride;rac Metanephrine Hydrochloride Salt;5090-31-3;Metanephrine HCl;(+-)-Metanephrine hydrochloride;(+/-)-Metanephrine hydrochloride;EINECS 212-922-2;Adrenaline, 3-methoxy-, hydrochloride;4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxyphenol;hydrochloride;DL-Metanephrine hydrochloride;Metanephrine hydrochloride DL;D,L-Metanephrine hydrochloride;UNII-D40947X4MO;D40947X4MO;EINECS 225-809-8;Dl-m-O-methylepinephrine hydrochloride;alpha-((Methylamino)methyl)vanillyl alcohol hydrochloride;4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxyphenol hydrochloride;(+-)-4-Hydroxy-3-methoxy-alpha-((methylamino)methyl)benzenemethanol hydrochloride;Vanillyl alcohol, alpha-((methylamino)methyl)-, hydrochloride;(+-)-alpha-((Methylamino)methyl)vanillyl alcohol hydrochloride;Benzenemethanol, 4-hydroxy-3-methoxy-alpha-((methylamino)methyl)-, hydrochloride, (+-)-;alpha-[(methylamino)methyl]vanillyl alcohol hydrochloride;(+-)-alpha-[(methylamino)methyl]vanillyl alcohol hydrochloride;Prestwick_906;Metanephrinehydrochloride;SCHEMBL2471378;Metanephrine hydrochloride, 99%;DTXSID60965141;HMS1568I06;BCP27969;MFCD00012487;AKOS016007304;METANEPHRINE HYDROCHLORIDE [MI];AS-62207;LS-30766;FT-0648745;METANEPHRINE HYDROCHLORIDE, (+/-)-;F85621;D,L-Metanephrine hydrochloride, >=98% (HPLC);A862293;Q27276061;4-(1-Hydroxy-2-(methylamino)ethyl)-2-methoxyphenol HCl;Vanillyl alcohol, .alpha.-[(methylamino)methyl]-, hydrochloride;4-Hydroxy-3-methoxy-?-[(methylamino)methyl]benzenemethanol Hydrochloride;Vanillyl alcohol, .alpha.-[(methylamino)methyl]-, hydrochloride,(.+.)-;4-[1-Hydroxy-2-(methylamino)ethyl]-2-methoxyphenol--hydrogen chloride (1/1);4-HYDROXY-3-METHOXY-.ALPHA.-(METHYLAMINOMETHYL)BENZENEMETHANOL HYDROCHLORIDE;Benzenemethanol, 4-hydroxy-3-methoxy-.alpha.-[(methylamino)methyl]-, hydrochloride;Benzenemethanol, 4-hydroxy-3-methoxy-.alpha.-[(methylamino)methyl]-, hydrochloride, (.+.)-;BENZENEMETHANOL, 4-HYDROXY-3-METHOXY-.ALPHA.-((METHYLAMINO)METHYL)-, HYDROCHLORIDE (1:1)

Chemical Property of Metanephrine hydrochloride

Chemical Property:

• Melting Point: 180-182?C
• Boiling Point: 378.8 °C at 760 mmHg
• Flash Point: 182.9 °C
• PSA: 61.72000
• Density: 1.320 g/cm3
• LogP: 1.84650
• Storage Temp.: -20°C Freezer
• Solubility.: H2O: soluble
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 233.0818711
• Heavy Atom Count: 15
• Complexity: 165

Purity/Quality:

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

racMetanephrineHydrochlorideSalt ^*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: CNCC(C1=CC(=C(C=C1)O)OC)O.Cl
• Uses: A metabolite of Epinephrine (E588585). A naturraly occurring derivative of Epinephrine, found in urine and in certain tissues.

Technology Process of Metanephrine hydrochloride

There total 3 articles about Metanephrine 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: 72.0%

1-(4-hydroxy-3-methoxy-phenyl)-2-methylamino-ethanone (91012-60-1) → dl-metanephrine hydrochloride (881-95-8,5090-31-3)

Guidance literature:

With hydrogenchloride; hydrogen; palladium; In ethanol; for 6h;

Reference yield:

4-acetyl-2-methoxyphenyl acetate (54771-60-7) → dl-metanephrine hydrochloride (881-95-8,5090-31-3)

Guidance literature:

Multi-step reaction with 3 steps

1: SeO₂ / dioxane; H₂O / 4 h / Heating

2: 61 percent / H₂ / Raney Ni / ethanol; H₂O / 0.33 h

3: 72 percent / conc. aq. HCl, H₂ / Pd black / ethanol / 6 h

With hydrogenchloride; selenium(IV) oxide; hydrogen; nickel; palladium; In 1,4-dioxane; ethanol; water;

Reference yield:

3-methoxy-4-hydroxyphenylglyoxal (32025-66-4) → dl-metanephrine hydrochloride (881-95-8,5090-31-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 61 percent / H₂ / Raney Ni / ethanol; H₂O / 0.33 h

2: 72 percent / conc. aq. HCl, H₂ / Pd black / ethanol / 6 h

With hydrogenchloride; hydrogen; nickel; palladium; In ethanol; water;

upstream raw materials:

1-(4-hydroxy-3-methoxy-phenyl)-2-methylamino-ethanone

4-acetyl-2-methoxyphenyl acetate

3-methoxy-4-hydroxyphenylglyoxal

Downstream raw materials:

(E)-N-[2-hydroxy-2-(3-methoxy-4-hydroxyphenyl)ethyl]-N-methyl-3-(pyridin-3-yl)-2-propenoic acid amide

Refernces