(+)-Methylephedrine hydrochloride

Base Information

• Chemical Name: (+)-Methylephedrine hydrochloride
• CAS No.: 54114-10-2
• Molecular Formula: C₁₁H₁₇NO*ClH
• Molecular Weight: 215.723
• Hs Code.: 2922199090
• European Community (EC) Number: 242-557-4
• UNII: P982XVV768
• DSSTox Substance ID: DTXSID00202461
• Wikidata: Q27286401
• Mol file: 54114-10-2.mol

Synonyms:(+)-Methylephedrine hydrochloride;54114-10-2;Methylephedrine hydrochloride, (+)-;d-Methylephedrine hydrochloride;UNII-P982XVV768;P982XVV768;rac-Methyl Ephedrine Hydrochloride;(1S,2R)-2-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride;(S-(R*,S*))-alpha-(1-(Dimethylamino)ethyl)benzenemethanol hydrochloride;Benzenemethanol, alpha-(1-(dimethylamino)ethyl)-, hydrochloride, (S-(R*,S*))-;18760-80-0;C11H17NO.ClH;dl-N-Methylephedrine hydrochloride;EINECS 242-557-4;(R*,S*)-(+-)-alpha-[1-(dimethylamino)ethyl]benzyl alcohol hydrochloride;DTXSID00202461;Benzenemethanol, .alpha.-[1-(dimethylamino)ethyl]-, hydrochloride, (R*,S*)-(.+-.)-;Benzenemethanol, .alpha.-[1-(dimethylamino)ethyl]-, hydrochloride, (R*,S*)-(.+.)-;Benzenemethanol, alpha-(1-(dimethylamino)ethyl)-, hydrochloride, (R*,S*)-(+-)- (9CI);Benzenemethanol, alpha-(1-(dimethylamino)ethyl)-, hydrochloride,(R*,S*)-(+)-;Benzyl alcohol, .alpha.-[1-(dimethylamino)ethyl]-, hydrochloride, erythro-(.+.)-;METHYLEPHEDRINE HYDROCHLORIDE, D-;LS-30714;NOREPHEDRINE, N,N-DIMETHYL, HYDROCHLORIDE;N-METHYLEPHEDRINE D-FORM HYDROCHLORIDE [MI];Q27286401;BENZENEMETHANOL, .ALPHA.-(1-(DIMETHYLAMINO)ETHYL)-, HYDROCHLORIDE, (S-(R*,S*))-;BENZENEMETHANOL, .ALPHA.-((1R)-1-(DIMETHYLAMINO)ETHYL)-, HYDROCHLORIDE (1:1), (.ALPHA.S)-;BENZENEMETHANOL, .ALPHA.-((1R)-1-(DIMETHYLAMINO)ETHYL)-, HYDROCHLORIDE, (.ALPHA.S)-

Chemical Property of (+)-Methylephedrine hydrochloride

Chemical Property:

• Boiling Point: 251.3°Cat760mmHg
• Flash Point: 96.9°C
• PSA: 23.47000
• Density: g/cm³
• LogP: 2.47210
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 215.1076919
• Heavy Atom Count: 14
• Complexity: 141

Purity/Quality:

99% ^*data from raw suppliers

(+)-METHYLEPHEDRINE HYDROCHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(C1=CC=CC=C1)O)N(C)C.Cl
• Isomeric SMILES: C[C@H]([C@H](C1=CC=CC=C1)O)N(C)C.Cl
• Use Description: {(IS,2R)-d-N-Methylephedrine HCL}, a specific chemical compound, serves diverse functions across various fields. In the pharmaceutical sector, it plays a crucial role as a chiral intermediate in the synthesis of pharmaceutical compounds, contributing to drug discovery and development efforts. In organic synthesis, this compound can act as a versatile building block, enabling the creation of complex molecular structures for research purposes. Additionally, in the field of medicinal chemistry, it may be explored for its potential therapeutic applications, particularly as a potential bronchodilator or decongestant due to its structural similarity to ephedrine. Its applications in pharmaceuticals, organic synthesis, and medicinal research underscore its significance in driving innovation, scientific exploration, and potential medical breakthroughs across these different domains.

Technology Process of (+)-Methylephedrine hydrochloride

There total 2 articles about (+)-Methylephedrine 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:

(-)-N-methylephedrine (552-79-4) → (1R,2S)(-)-methylephedrinium chloride (942-46-1,4125-59-1,18760-80-0,30891-72-6,38455-90-2,54114-10-2,65326-26-3,69792-63-8)

Guidance literature:

With hydrogenchloride; In water; at 50 ℃; for 0.5h;

DOI:10.1021/cg200030s

Reference yield:

(+/-)-N-methylephedrine (1201-56-5) → (+/-)-methylephedrinium chloride (942-46-1,4125-59-1,18760-80-0,30891-72-6,38455-90-2,54114-10-2,65326-26-3,69792-63-8)

Guidance literature:

With hydrogenchloride; In water; at 50 ℃; for 0.5h;

DOI:10.1021/cg200030s

Reference yield:

C70H72N16O24S4(4-)*4Na(1+) + (1R,2S)(-)-methylephedrinium chloride (942-46-1,4125-59-1,18760-80-0,30891-72-6,38455-90-2,54114-10-2,65326-26-3,69792-63-8) → C70H72N16O24S4(4-)*4Na(1+)*C11H17NO*ClH

Guidance literature:

In water-d2; at 25 ℃;

DOI:10.1039/d1ob00345c

upstream raw materials:

(-)-N-methylephedrine

(+/-)-N-methylephedrine

Refernces