(IS,2R)-d-n-methylephedrine hcl

Base Information

• Chemical Name: (IS,2R)-d-n-methylephedrine hcl
• CAS No.: 18760-80-0
• Molecular Formula: C₁₁H₁₇NO*ClH
• Molecular Weight: 215.723
• Mol file: 18760-80-0.mol

Synonyms:(IS,2R)-d-n-methylephedrine hcl;J-502076

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Chemical Property of (IS,2R)-d-n-methylephedrine hcl

Chemical Property:

• Vapor Pressure: 0.0108mmHg at 25°C
• Boiling Point: 251.3°Cat760mmHg
• Flash Point: 96.9°C
• PSA: 23.47000
• Density: g/cm³
• LogP: 2.47210
• Storage Temp.: Refrigerator
• Solubility.: Acetonitrile (Slightly, Heated), Methanol (Slightly), Water (Slightly)
• 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:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(C1=CC=CC=C1)O)[NH+](C)C.[Cl-]
• Isomeric SMILES: C[C@H]([C@H](C1=CC=CC=C1)O)[NH+](C)C.[Cl-]
• Uses: Ephedrine derivative for controlling respiratory tract goblet cell hyperplasia in respiratory diseases including infection and bronchitis.

Technology Process of (IS,2R)-d-n-methylephedrine hcl

There total 2 articles about (IS,2R)-d-n-methylephedrine hcl 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