Nisoxetine hydrochloride, (-)-

Base Information

• Chemical Name: Nisoxetine hydrochloride, (-)-
• CAS No.: 114446-54-7
• Molecular Formula: C₁₇H₂₁NO₂*ClH
• Molecular Weight: 307.82
• UNII: 30807965UW
• Wikidata: Q27255922

Synonyms:Nisoxetine hydrochloride, (-)-;(S)-Nisoxetine hydrochloride;(S)-(-)-Nisoxetine hydrochloride;UNII-30807965UW;114446-54-7;30807965UW;Benzenepropanamine, gamma-(2-methoxyphenoxy)-N-methyl-, hydrochloride, (S)-;(-)-nisoxetine hydrochloride;Q27255922;BENZENEPROPANAMINE, .GAMMA.-(2-METHOXYPHENOXY)-N-METHYL-, HYDROCHLORIDE, (S)-

Chemical Property of Nisoxetine hydrochloride, (-)-

Chemical Property:

• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 307.1339066
• Heavy Atom Count: 21
• Complexity: 253

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CNCCC(C1=CC=CC=C1)OC2=CC=CC=C2OC.Cl
• Isomeric SMILES: CNCC[C@@H](C1=CC=CC=C1)OC2=CC=CC=C2OC.Cl

Technology Process of Nisoxetine hydrochloride, (-)-

There total 10 articles about Nisoxetine 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-chloro-3-phenyl-3-(2-methoxyphenoxy)propane (114446-52-5) + methylamine (74-89-5) → -(-)-nisoxetine hydrochloride (114446-54-7)

Guidance literature:

In ethanol; water; at 130 ℃; for 3h;

DOI:10.1021/jo00248a005

Reference yield:

(1R)-3-chloro-1-phenylpropanol (100306-33-0,125712-82-5) → -(-)-nisoxetine hydrochloride (114446-54-7)

Guidance literature:

Multi-step reaction with 2 steps

1: Ph₃P, DEAD / diethyl ether

2: 1.) NaI / 1.) acetone, 2.) H₂O, THF

With triphenylphosphine; sodium iodide; diethylazodicarboxylate; In diethyl ether;

Reference yield:

2-methoxy-phenol (90-05-1) → -(-)-nisoxetine hydrochloride (114446-54-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 60 percent / triphenylphosphine, diethyl azodicarboxylate / tetrahydrofuran / Ambient temperature

2: 91 percent / ethanol; H₂O / 3 h / 130 °C

With triphenylphosphine; diethylazodicarboxylate; In tetrahydrofuran; ethanol; water;

DOI:10.1021/jo00248a005

upstream raw materials:

-(-)-1-chloro-3-phenyl-3-(2-methoxyphenoxy)propane

methylamine

3-(2-methoxyphenoxy)-3-phenylpropanenitrile

(S)-3-(2-Methoxy-phenoxy)-3-phenyl-propylamine

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