Tomoxetine

Base Information

• Chemical Name: Tomoxetine
• CAS No.: 63940-51-2
• Molecular Formula: C17H21 N O
• Molecular Weight: 255.36
• Hs Code.: 2922299090
• European Community (EC) Number: 691-644-7
• DSSTox Substance ID: DTXSID10861048
• Nikkaji Number: J471.927A,J525.771I
• ChEMBL ID: CHEMBL299052
• Mol file: 63940-51-2.mol

Synonyms:139603, LY;atomoxetine;Atomoxetine HCl;atomoxetine hydrochloride;HCl, Atomoxetine;Hydrochloride, Atomoxetine;LY 139603;N-methyl-gamma-(2-methylphenoxy)benzenepropanamine hydrochloride;Strattera;tomoxetine;Tomoxetine Hydrochloride, (+)-isomer - T351671;tomoxetine hydrochloride, (+-)-isomer;tomoxetine hydrochloride, (-)-isomer

Chemical Property of Tomoxetine

Chemical Property:

• Vapor Pressure: 2.95E-06mmHg at 25°C
• Refractive Index: 1.552
• Boiling Point: 389°C at 760 mmHg
• PKA: 10.15±0.10(Predicted)
• Flash Point: 164.1°C
• PSA: 21.26000
• Density: 1.023g/cm³
• LogP: 4.11550
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 255.162314293
• Heavy Atom Count: 19
• Complexity: 237

Purity/Quality:

99.9% ^*data from raw suppliers

N-Methyl-3-phenyl-3-(o-tolyloxy)propan-1-amine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1OC(CCNC)C2=CC=CC=C2
• Uses: rac Atomoxetine is a compound active at novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases.

Technology Process of Tomoxetine

There total 64 articles about Tomoxetine 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: 96.0%

-(-)-1-chloro-3-phenyl-3-(2-methylphenoxy)propane (114446-47-8) + methylamine (74-89-5) → (R)-tomoxetine (105314-52-1,105314-53-2,63940-51-2,83015-26-3)

Guidance literature:

In ethanol; water; at 130 ℃;

DOI:10.1016/j.tetlet.2004.11.052

Reference yield: 89.51%

2-Fluorotoluene (95-52-3) + (R)-N-methyl-3-phenyl-3-hydroxypropylamine (115290-81-8) → (R)-tomoxetine (105314-52-1,105314-53-2,63940-51-2,83015-26-3)

Guidance literature:

(R)-N-methyl-3-phenyl-3-hydroxypropylamine; With potassium hydroxide; In dimethyl sulfoxide; at 130 ℃; for 1h;

2-Fluorotoluene; In dimethyl sulfoxide; at 130 ℃;

Reference yield: 84.0%

(R)-N-(ethoxycarbonyl)-3-(2-methylphenoxy)-3-phenyl-1-propanamine → (R)-tomoxetine (105314-52-1,105314-53-2,63940-51-2,83015-26-3)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; Heating;

DOI:10.1016/S0957-4166(02)00537-2

upstream raw materials:

2-methylchlorobenzene

(R)-N-methyl-3-phenyl-3-hydroxypropylamine

(R)-3-(2-methylphenoxy)-3-phenylprop-1-yl methanesulfonate

methylamine

Downstream raw materials:

atomoxetine hydrochloride

S-rivastigmine-atomoxetine

(R)-atomoxetine oxalate

(-)-N-tert-butoxycarbonyl-N-methyl-3-phenyl-3-(2-methylphenoxy)propanamine

Refernces

Asymmetric hydrogenation of β-amino ketones with the bimetallic complex RuPHOX-Ru as the chiral catalyst

10.1039/c3ob40135a

The study focuses on the asymmetric hydrogenation of β-amino ketones using a bimetallic complex, RuPHOX-Ru, as a chiral catalyst. The primary aim was to develop an efficient, environmentally friendly, and cost-effective method for synthesizing enantiomerically pure γ-amino alcohols, which are key intermediates in the production of antidepressants such as fluoxetine, tomoxetine, and nisoxetine. The researchers utilized a mixed solvent system of toluene and water, with KOH as the base, under a hydrogen atmosphere to achieve high yields and enantioselectivities (up to 99.9% ee) for the hydrogenation reactions. The study demonstrates that the RuPHOX-Ru catalyst is stable, can be used with low catalyst loadings, and offers a promising alternative for the synthesis of these drugs and their analogues.

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 63940-51-2 rac Atomoxetine

Send

Send

Metric Ton KG G Pound L ML

Send

Send