Etafedrine hydrochloride

Base Information

• Chemical Name: Etafedrine hydrochloride
• CAS No.: 7681-79-0
• Molecular Formula: C12H19 N O
• Molecular Weight: 193.289
• European Community (EC) Number: 231-677-2
• DSSTox Substance ID: DTXSID20864101
• Nikkaji Number: J15.484I
• Wikipedia: Etafedrine
• NCI Thesaurus Code: C75032,C76539
• ChEMBL ID: CHEMBL2110926
• Mol file: 7681-79-0.mol

Synonyms:etafedrine;etafedrine hydrochloride;etafedrine hydrochloride, (R-(R*,S*))-isomer;etafedrine, (R*,S*)-isomer;etafedrine, R-(R*,S*);etaphedrine;L-N-ethylephedrine

Chemical Property of Etafedrine hydrochloride

Chemical Property:

• Melting Point: 29-30 °C
• Boiling Point: 135-136 °C(Press: 15 Torr)
• PKA: 13.90±0.20(Predicted)
• PSA: 23.47000
• Density: 0.995±0.06 g/cm3(Predicted)
• LogP: 2.06020
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 193.146664230
• Heavy Atom Count: 14
• Complexity: 154

Purity/Quality:

99% ^*data from raw suppliers

2-[ETHYL(METHYL)AMINO]-1-PHENYLPROPAN-1-OL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(C)C(C)C(C1=CC=CC=C1)O

Technology Process of Etafedrine hydrochloride

There total 2 articles about Etafedrine 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:

1-Phenylpropane-1,2-dione (579-07-7) → (1RS:2SR)-2-(methyl-ethyl-amino)-1-phenyl-propanol-(1) (7681-79-0,17140-70-4,48141-64-6,88762-92-9,139627-69-3)

Guidance literature:

Multi-step reaction with 2 steps

1: Hydrogenation

2: water; platinum; ammonium chloride / Hydrogenation

With ammonium chloride; water; platinum;

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + N-ethylnorephedrine (37025-57-3) → (1RS:2SR)-2-(methyl-ethyl-amino)-1-phenyl-propanol-(1) (7681-79-0,17140-70-4,48141-64-6,88762-92-9,139627-69-3)

Guidance literature:

With ammonium chloride; water; platinum; Hydrogenation;

Reference yield: 78.0%

Novedrin (7681-79-0) + acryloyl chloride (814-68-6,25189-84-8) → 2-(N-ethyl-N-methylamino-1-phenyl)-propyl propenoate (234123-45-6)

Guidance literature:

In diethyl ether; at 25 ℃; for 6h;

DOI:10.1080/00397919908086248

upstream raw materials:

formaldehyd

N-ethylnorephedrine

1-Phenylpropane-1,2-dione

Downstream raw materials:

2-(N-ethyl-N-methylamino-1-phenyl)-propyl propenoate