N-Methyldopamine hydrochloride

Base Information

• Chemical Name: N-Methyldopamine hydrochloride
• CAS No.: 62-32-8
• Molecular Formula: C9H13 N O2 . Cl H
• Molecular Weight: 203.669
• Hs Code.: 2922299090
• European Community (EC) Number: 200-528-3
• NSC Number: 294897
• UNII: ZV3MG8PAX3
• DSSTox Substance ID: DTXSID90211027
• Wikidata: Q27295902
• ChEMBL ID: CHEMBL1256484
• Mol file: 62-32-8.mol

Synonyms:N-Methyldopamine hydrochloride;62-32-8;Ephinine hydrochloride;Methyldopamine hydrochloride;Deoxyepinephrine hydrochloride;Epinine hydrochloride;N-Methyldopamine HCl;Deoxy Epinephrine;Deoxy Epinephrine Hydrochloride;3,4-Dihydroxyphenylethylmethylamine hydrochloride;Methyldopamine HCl;4-(2-Methylaminoethyl)pyrocatechol hydrochloride;EINECS 200-528-3;UNII-ZV3MG8PAX3;ZV3MG8PAX3;NSC 294897;4-[2-(methylamino)ethyl]benzene-1,2-diol hydrochloride;N-methyl dopamine hydrochloride;3,4-Dihydroxyphenyl-1-methylamino-2-ethane hydrochloride;1,2-Benzenediol, 4-(2-(methylamino)ethyl)-, hydrochloride;3,4-Dihydroxyphenethylmethylammonium chloride;N-Methyldopamine (hydrochloride);NSC-294897;4-(2-(Methylamino)ethyl)benzene-1,2-diol hydrochloride;4-[2-(methylamino)ethyl]benzene-1,2-diol,hydrochloride;4-[2-(methylamino)ethyl]benzene-1,2-diol;hydrochloride;Pyrocatechol, 4-(2-(methylamino)ethyl)-, hydrochloride;Methyl-(beta-(3,4-dihydroxyphenyl)ethyl)amine hydrochloride;4-[2-(methylamino)ethyl]-1,2-benzenediol hydrochloride;SMR000326768;1,2-Benzenediol, 4-[2-(methylamino)ethyl]-, hydrochloride;MFCD00035074;C(CNC)c1ccc(O)c(O)c1;MLS000859907;MLS001332603;MLS001332604;N-Methyl Dopamine Hydrochlorie;SCHEMBL1320882;CHEMBL1256484;WLN: QR BQ D2M1 &GH;1,2-Benzenediol, 4-[2-(methylamino)ethyl]-hydrochloride;DTXSID90211027;AMY32024;Tox21_500390;NSC294897;AKOS015965249;CCG-221694;CS-W015444;HY-W014728;LP00390;PS-8162;NCGC00093818-01;NCGC00261075-01;AC-20364;3,4-dihydroxyphenethylmethylammoniumchlorid;DEOXYEPINEPHRINE HYDROCHLORIDE [MI];LS-136446;EU-0100390;FT-0650241;FT-0665802;1, 4-[2-(methylamino)ethyl]-, hydrochloride;3,4-Dihydroxyphenylethylmethyamine hydrochloride;D 5886;DEOXYEPINEPHRINE HYDROCHLORIDE [WHO-DD];H12011;EN300-7359651;A903349;SR-01000075369;SR-01000075369-1;Q27295902;4-[2-(Methylamino)ethyl]benzene-1,2-diol hydrochlorid;4-(2-METHYLAMINOETHYL)-1,2-BENZENEDIOL HYDROCHLORIDE;Methyl-[.beta.-(3,4-dihydroxyphenyl)ethyl]amine hydrochloride;METHYL(.BETA.-(3,4-DIHYDROXYPHENYL)ETHYL)AMINE HYDROCHLORIDE;4-(2-(methylamino)ethyl)benzene-1,2-diol hydrochloride

Chemical Property of N-Methyldopamine hydrochloride

Chemical Property:

• Vapor Pressure: 9.79E-05mmHg at 25°C
• Melting Point: 174-176°C
• Boiling Point: 328.6°C at 760 mmHg
• Flash Point: 154.3°C
• PSA: 52.49000
• LogP: 2.05260
• Storage Temp.: 2-8°C
• Solubility.: H2O: soluble
• Water Solubility.: Soluble in methanol, water.
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 203.0713064
• Heavy Atom Count: 13
• Complexity: 130

Purity/Quality:

≥98% ^*data from raw suppliers

DeoxyEpinephrineHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CNCCC1=CC(=C(C=C1)O)O.Cl
• Uses: Andregenic and dopamine receptor agonist; active metabolite of Ibopramine. Also, it is used as internal standard in chromatographic analysis of catecholamine's. Andregenic and dopamine receptor agonist; active metabolite of Ibopramine (I123500). Also, Deoxyepinephrine Hydrochloride is used as internal standard in chromatographic analysis of catecholamines.

Technology Process of N-Methyldopamine hydrochloride

There total 3 articles about N-Methyldopamine 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%

1-(3,4-dihydroxyphenyl)-1-oxo-2-methylamino-ethan-hydrochlorid (62-13-5) → epinine hydrochloride (62-32-8)

Guidance literature:

With hydrogenchloride; hydrogen; palladium on activated charcoal; at 67 ℃; for 20h; under 2585.7 Torr;

DOI:10.1021/jo00058a056

Reference yield:

Epinephrine (329-65-7,51028-73-0) → epinine hydrochloride (62-32-8)

Guidance literature:

With hydrogenchloride; hydrogen; palladium on activated charcoal; at 60 ℃; for 24h; under 2585.7 Torr;

DOI:10.1021/jo00058a056

Reference yield:

ibopamine hydrochloride → epinine hydrochloride (62-32-8) + N-isobutyrylepinine + N,3-O-diisobutyrylepinine + N,O,O-triisobutyrylepinine (106148-93-0) + 3-O-isobutyrylepinine hydrochloride

Guidance literature:

With hydrogenchloride; potassium chloride; In water; at 37 ℃; Rate constant; hydrolysis stability: other pH values, other temperatures; thermostability; 140 deg C, 5 h;

upstream raw materials:

Epinephrine

1-(3,4-dihydroxyphenyl)-1-oxo-2-methylamino-ethan-hydrochlorid

Downstream raw materials:

Epinochrom

3,4-O-dinicotinoyl-N-benzyloxycarbonylepinine

Refernces

• 1、 Carpenter, Joel F.. "An Improved Synthesis of 5,6-Diacetoxy-N-methylindole and of Epinine". . p. 1607 - 1609. Retrieved 2007/10/02.