3-(Dimethylamino)-1-phenylpropan-1-ol hydrochloride

Base Information

• Chemical Name: 3-(Dimethylamino)-1-phenylpropan-1-ol hydrochloride
• CAS No.: 5424-50-0
• Molecular Formula: C11H17 N O . Cl H
• Molecular Weight: 215.723
• NSC Number: 12229
• DSSTox Substance ID: DTXSID70377872
• Mol file: 5424-50-0.mol

Synonyms:5424-50-0;AC1MCIJF;3-(dimethylamino)-1-phenylpropan-1-ol hydrochloride;SCHEMBL4377637;DTXSID70377872;NADQJAUBGUEARA-UHFFFAOYSA-N;NSC12229;NSC-12229;FT-0726959;3-(dimethylamino)-1-phenylpropan-1-olhydrochloride;N,N-dimethyl-3-phenyl-3-hydroxy-propanamine hydrochloride

Chemical Property of 3-(Dimethylamino)-1-phenylpropan-1-ol hydrochloride

Chemical Property:

• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 215.1076919
• Heavy Atom Count: 14
• Complexity: 130

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CCC(C1=CC=CC=C1)O.Cl

Technology Process of 3-(Dimethylamino)-1-phenylpropan-1-ol hydrochloride

There total 2 articles about 3-(Dimethylamino)-1-phenylpropan-1-ol 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: 78.0%

3-dimethylaminopropiophenone (3506-36-3) → NSC 12229 (5424-50-0)

Guidance literature:

3-dimethylaminopropiophenone; With (dppf)RuCl₂(enethylenediamine); potassium tert-butylate; hydrogen; In isopropyl alcohol; at 70 ℃; under 7757.43 Torr; Inert atmosphere; Schlenk technique;

With hydrogenchloride; In water; acetone; Inert atmosphere; Schlenk technique;

DOI:10.1021/op060063n

Reference yield:

N,N-dimethyl-3-hydroxy-3-phenylpropylamine (5554-64-3) → NSC 12229 (5424-50-0)

Guidance literature:

With hydrogenchloride; In di-isopropyl ether; at 0 ℃; for 1h;

Reference yield: 94.7%

NSC 12229 (5424-50-0) → 3-(dimethylamino)-1-phenylpropyl chloride hydrochloride (1011-59-2)

Guidance literature:

With thionyl chloride; orthoformic acid triethyl ester; In toluene; at -30 - -20 ℃; for 5h;

upstream raw materials:

N,N-dimethyl-3-hydroxy-3-phenylpropylamine

3-dimethylaminopropiophenone

Downstream raw materials:

N,N-dimethyl-γ-(3-nitrophenoxy)-benzene-propanamine

N,N-dimethyl-3-(4-nitrophenoxy)-3-phenylpropan-1-amine

3-(dimethylamino)-1-phenylpropyl chloride hydrochloride

Refernces

• 1、 De Koning, Pieter D.,Jackson, Mark,Lennon, Ian C.. "Use of achiral (diphosphine)RuCl2(diamine) precatalysts as a practical alternative to sodium borohydride for ketone reduction". . p. 1054 - 1058. Retrieved 2012/12/23.