(S)-2-(3-(diisopropylamino)-1-phenylpropyl)-4-(hydroxymethyl)phenol

Base Information

• Chemical Name: (S)-2-(3-(diisopropylamino)-1-phenylpropyl)-4-(hydroxymethyl)phenol
• CAS No.: 260389-90-0
• Molecular Formula: C22H31NO2
• Molecular Weight: 341.49
• Mol file: 260389-90-0.mol

Synonyms:Tolterodine Impurity 21;Fesoterodine Impurity 21;Fesoterodine Diol (S)-Isomer;(S)-5-HydroxyMethyl Tolterodine;Tolterodine 5-Hydroxymethyl (S)-Isomer;Tolterodine 5-Hydroxymethyl Analog (S)-Isomer;(S)-2-(3-(diisopropylaMino)-1-phenylpropyl)-4-(hydroxyMethyl)phenol;2-[(1S)-3-(Diisopropylamino)-1-phenylpropyl]-4-(hydroxymethyl)phe nol;Benzenemethanol, 3-[(1S)-3-[bis(1-methylethyl)amino]-1-phenylpropyl]-4-hydroxy-

Chemical Property of (S)-2-(3-(diisopropylamino)-1-phenylpropyl)-4-(hydroxymethyl)phenol

Chemical Property:

• Boiling Point: 490.7±45.0 °C(Predicted)
• PKA: 9.61±0.48(Predicted)
• PSA: 43.70000
• Density: 1.060±0.06 g/cm3(Predicted)
• LogP: 4.52530

Purity/Quality:

≥95% ^*data from raw suppliers

(S)-5-HydroxymethylTolterodine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: (S)-5-Hydroxymethyl Tolterodine is an metabolite of Tolterodine (T535800), a muscarinic receptor antagonist used in the treatment of urinary incontinence.

Technology Process of (S)-2-(3-(diisopropylamino)-1-phenylpropyl)-4-(hydroxymethyl)phenol

There total 12 articles about (S)-2-(3-(diisopropylamino)-1-phenylpropyl)-4-(hydroxymethyl)phenol 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: 40.0%

RS-N,N-diisopropyl-3-(2-hydroxy-5-(hydroxymethyl)phenyl)-3-phenylpropylamine (200801-70-3) + (R)-(-)-O-acetylmandelic acid (51019-43-3) → (R)-2-[3-(N,N-diisopropylamino)-1-phenylpropyl]-4-(hydroxymethyl)phenol (R)-(-)-O-acetylmandelic acid salt + 5-hydroxymethyl tolterodine (260389-90-0)

Guidance literature:

In tert-Amyl alcohol; at 20 - 70 ℃; for 17h; Inert atmosphere;

DOI:10.1002/bkcs.10592

Reference yield: 37.8%

RS-N,N-diisopropyl-3-(2-hydroxy-5-(hydroxymethyl)phenyl)-3-phenylpropylamine (200801-70-3) + (R)-(-)-O-acetylmandelic acid (51019-43-3) → (R)-2-[3-(N,N-diisopropylamino)-1-phenylpropyl]-4-(hydroxymethyl)phenol (R)-(-)-O-acetylmandelic acid salt + 5-hydroxymethyl tolterodine (260389-90-0)

Guidance literature:

In tert-Amyl alcohol; at 70 ℃; optical yield given as %ee; enantioselective reaction; Resolution of racemate; Large scale reaction;

DOI:10.1021/op200107g

Reference yield:

(S)-tolterodine (124937-53-7) → 5-hydroxymethyl tolterodine (260389-90-0) + (S)-3-(3-N,N'-diisopropylamino-1-phenyl-propyl)-4-hydroxy-benzoic acid (1449220-65-8) + C19H25NO + C22H29NO2

Guidance literature:

With NADPH; In aq. buffer; at 30 ℃; pH=7.3; Enzymatic reaction;

DOI:10.1021/acs.joc.1c01407

upstream raw materials:

RS-N,N-diisopropyl-3-(2-hydroxy-5-(hydroxymethyl)phenyl)-3-phenylpropylamine

(R)-(-)-O-acetylmandelic acid

ethyl 3-oxo-3-phenylpropionate

3-hydroxy-3-phenylpropyl methanesulfonate

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 260389-90-0 (S)-2-(3-(diisopropylamino)-1-phenylpropyl)-4-(hydroxymethyl)phenol

Send

Send

Metric Ton KG G Pound L ML

Send

Send