(R)-2-(3-(Diisopropylamino)-1-phenylpropyl)-4-methylphenol hydrobromide

Base Information

• Chemical Name: (R)-2-(3-(Diisopropylamino)-1-phenylpropyl)-4-methylphenol hydrobromide
• CAS No.: 837376-36-0
• Molecular Formula: C22H31 N O . Br H
• Molecular Weight: 406.406
• Hs Code.: 2922299090
• DSSTox Substance ID: DTXSID30585330
• Mol file: 837376-36-0.mol

Synonyms:837376-36-0;Tolterodine hydrobromide;(R)-2-(3-(Diisopropylamino)-1-phenylpropyl)-4-methylphenol hydrobromide;2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol;hydrobromide;SCHEMBL1260827;AMY8931;DTXSID30585330;AKOS016008269;2-{(1R)-3-[Di(propan-2-yl)amino]-1-phenylpropyl}-4-methylphenol--hydrogen bromide (1/1)

Chemical Property of (R)-2-(3-(Diisopropylamino)-1-phenylpropyl)-4-methylphenol hydrobromide

Chemical Property:

• Vapor Pressure: 1.44E-09mmHg at 25°C
• Boiling Point: 473ºC at 760 mmHg
• Flash Point: 239.9ºC
• PSA: 23.47000
• LogP: 6.29950
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 405.16673
• Heavy Atom Count: 25
• Complexity: 340

Purity/Quality:

99% ^*data from raw suppliers

(R)-2-(3-(Diisopropylamino)-1-phenylpropyl)-4-methylphenol hydrobromide 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)O)C(CCN(C(C)C)C(C)C)C2=CC=CC=C2.Br
• Isomeric SMILES: CC1=CC(=C(C=C1)O)[C@H](CCN(C(C)C)C(C)C)C2=CC=CC=C2.Br

Technology Process of (R)-2-(3-(Diisopropylamino)-1-phenylpropyl)-4-methylphenol hydrobromide

There total 8 articles about (R)-2-(3-(Diisopropylamino)-1-phenylpropyl)-4-methylphenol hydrobromide 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: 86.51%

N-diisopropyl-3-(2-methoxy-5-methylphenyl)-3-phenylpropanamine hydrogen fumarate (124935-89-3) → 3-(2-hydroxy-5-methylphenyl)-N,N-diisopropyl-3-phenylpropan-1-aminium bromide (837376-36-0)

Guidance literature:

With hydrogen bromide; acetic acid; at 25 - 115 ℃; for 10h; Heating / reflux;

Reference yield: 86.0%

N,N-diisopropyl-3-(2-methoxy-5-methylphenyl)-3-phenylpropan-1-amine (124935-88-2) → bis{4-methyl-2-(3-phenylpropyl)phenol} (854306-72-2) + 3-(2-hydroxy-5-methylphenyl)-N,N-diisopropyl-3-phenylpropan-1-aminium bromide (837376-36-0)

Guidance literature:

With hydrogen bromide; In water; acetic acid; at 110 - 115 ℃; for 10 - 12h;

Reference yield: 80.0%

N,N-diisopropyl-3-(2-methoxy-5-methylphenyl)-3-phenylpropan-1-amine (124935-88-2) → 3-(2-hydroxy-5-methylphenyl)-N,N-diisopropyl-3-phenylpropan-1-aminium bromide (837376-36-0)

Guidance literature:

With water; hydrogen bromide; tetrabutylammomium bromide; In acetic acid; at 115 ℃; for 48h; Product distribution / selectivity; Heating / reflux;

upstream raw materials:

N,N-diisopropyl-3-(2-methoxy-5-methylphenyl)-3-phenylpropan-1-amine

N-diisopropyl-3-(2-methoxy-5-methylphenyl)-3-phenylpropanamine hydrogen fumarate

p-cresol

(E)-N,N-diisopropyl-3-phenylprop-2-en-1-amine

Downstream raw materials:

N,N-diisopropyl-3-(2-benzyloxy-5-methylphenyl)-3-phenylpropylamine

N,N-diiso-propyl-3-(2-hydroxy-5-methylphenyl)-3-phenylpropanamine

tolterodine tartrate

tolterodine tartrate

Refernces

• 1、 -. "A PROCESS FOR THE PREPARATION OF TOLTERODINE TARTRATE". Paragraph 203-211. . Retrieved 2010/09/03.
• 2、 -. "PROCESS FOR PREPARING 3,3-DIARYLPROPYLAMINES". Page/Page column 10-11. . Retrieved 2008/06/13.