(+)-Tomoxetine hydrochloride

Base Information

• Chemical Name: (+)-Tomoxetine hydrochloride
• CAS No.: 82857-39-4
• Molecular Formula: C17H22ClNO
• Molecular Weight: 291.821
• Hs Code.: 2922199695
• European Community (EC) Number: 682-347-3
• UNII: EHM88LDX7Z
• DSSTox Substance ID: DTXSID70232033
• Mol file: 82857-39-4.mol

Synonyms:82857-39-4;(S)-Tomoxetine hydrochloride;(+)-Tomoxetine hydrochloride;ent S-(+)-Atomoxetine Hydrochloride;EHM88LDX7Z;LY139602;(S)-N-Methyl-3-phenyl-3-(o-tolyloxy)propan-1-amine hydrochloride;Atomoxetine S-isomer;Benzenepropanamine, N-methyl-gamma-(2-methylphenoxy)-, hydrochloride, (gammaS)-;S-(+)-Atomoxetine Hydrochloride;(S)-(+)-Tomoxetine Hydrochloride;UNII-EHM88LDX7Z;SCHEMBL2206798;(3S)-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine;hydrochloride;DTXSID70232033;MFCD11035876;AKOS040744753;ATOMOXETINE HYDROCHLORIDE, (S)-;LY-139602;CS-0341871;ATOMOXETINE S-ISOMER HYDROCHLORIDE [USP-RS];Benzenepropanamine, N-methyl-gamma-(2-methylphenoxy)-, hydrochloride, (S)-;Benzenepropanamine, N-methyl-gamma-(2-methylphenoxy)-, hydrochloride (1:1), (gammaS)-

Chemical Property of (+)-Tomoxetine hydrochloride

Chemical Property:

• Melting Point: 162-163℃
• Boiling Point: 180-200 °C(Press: 0.5 Torr)
• PSA: 21.26000
• LogP: 4.91750
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 291.1389920
• Heavy Atom Count: 20
• Complexity: 237

Purity/Quality:

97% ^*data from raw suppliers

S-(+)-AtomoxetineHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=CC=C1OC(CCNC)C2=CC=CC=C2.Cl
• Isomeric SMILES: CC1=CC=CC=C1O[C@@H](CCNC)C2=CC=CC=C2.Cl
• Uses: The enatiomer of Atomoxetine, a Norepinephrine uptake blocker

Technology Process of (+)-Tomoxetine hydrochloride

There total 19 articles about (+)-Tomoxetine 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: 99.0%

(S)-N-methyl-3-(2-methylphenoxy)-3-phenyl-1-propanamine (105314-53-2) → -(+)-tomoxetine hydrochloride (82857-39-4,82857-40-7)

Guidance literature:

With hydrogenchloride; In diethyl ether;

DOI:10.1016/j.tet.2004.12.059

Reference yield: 95.0%

-(+)-1-chloro-3-phenyl-3-(2-methylphenoxy)propane (114446-50-3) + methylamine (74-89-5) → -(+)-tomoxetine hydrochloride (82857-39-4,82857-40-7)

Guidance literature:

In ethanol; water; at 130 ℃; for 3h;

DOI:10.1021/jo00248a005

Reference yield:

ortho-cresol (95-48-7,77504-84-8) + methylamine (74-89-5) + 3-hydroxy-3-phenylpropyl 4-methylbenzenesulfonate (51699-49-1) → -(+)-tomoxetine hydrochloride (82857-39-4,82857-40-7) + atomoxetine hydrochloride (82248-59-7,82857-40-7)

Guidance literature:

3-hydroxy-3-phenylpropyl 4-methylbenzenesulfonate; With 3 A molecular sieve; oxygen; (-)-sparteine; palladium diacetate; In toluene; at 80 ℃; for 36h; under 760 Torr;

methylamine; With water; In tetrahydrofuran; at 65 ℃;

ortho-cresol; With hydrogenchloride; triphenylphosphine; diethylazodicarboxylate; In diethyl ether; at -10 - 0 ℃;

DOI:10.1016/S0040-4039(02)01073-0

upstream raw materials:

-(+)-1-chloro-3-phenyl-3-(2-methylphenoxy)propane

methylamine

((S)-3-Phenyl-3-o-tolyloxy-propyl)-carbamic acid methyl ester

ortho-cresol

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 82857-39-4 ent S-(+)-Atomoxetine Hydrochloride

Send

Send

Metric Ton KG G Pound L ML

Send

Send