dofequidar

Base Information

• Chemical Name: dofequidar
• CAS No.: 129716-58-1
• Molecular Formula: C30H31 N3 O3
• Molecular Weight: 481.594
• Mol file: 129716-58-1.mol

Synonyms:1-Piperazineethanol,4-(diphenylacetyl)-a-[(5-quinolinyloxy)methyl]- (9CI); 1-[4-[2-Hydroxy-3-(5-quinolyloxy)propyl]piperazin-1-yl]-2,2-diphenylethan-1-one;Dofequidar

Chemical Property of dofequidar

Chemical Property:

• Vapor Pressure: 8.36E-22mmHg at 25°C
• Boiling Point: 720.8°Cat760mmHg
• PKA: 13.94±0.20(Predicted)
• Flash Point: 389.7°C
• PSA: 65.90000
• Density: 1.228g/cm³
• LogP: 3.82660
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C

Purity/Quality:

97% ^*data from raw suppliers

Dofequidar >98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of dofequidar

There total 5 articles about dofequidar 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: 70.0%

N-(2,2-diphenylacetyl)piperazine (67199-13-7) + R-1-(5-quinolinyloxy)-2,3-epoxypropane (129717-21-1) → 5-[3-(4-(2,2-diphenylacetyl)piperazine-1-yl)-2-hydroxypropoxy]quinoline (129716-58-1,153653-31-7)

Guidance literature:

In isopropyl alcohol; for 4h; Heating;

DOI:10.1021/jm960869l

Reference yield:

quinolin-5-ol (578-67-6) → 5-[3-(4-(2,2-diphenylacetyl)piperazine-1-yl)-2-hydroxypropoxy]quinoline (129716-58-1,153653-31-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) t-BuOK / 1.) DMF, 50 deg C, 30 min, 2.) DMF, 90 deg C, 3 h

2: 70 percent / propan-2-ol / 4 h / Heating

With potassium tert-butylate; In isopropyl alcohol;

DOI:10.1021/jm960869l

Reference yield:

diphenylacetic acid chloride (1871-76-7) → 5-[3-(4-(2,2-diphenylacetyl)piperazine-1-yl)-2-hydroxypropoxy]quinoline (129716-58-1,153653-31-7)

Guidance literature:

Multi-step reaction with 3 steps

1: Et₃N / CHCl₃ / 0.5 h / Ambient temperature

2: 10percent aq. HCl / methanol / Ambient temperature

3: 70 percent / propan-2-ol / 4 h / Heating

With hydrogenchloride; triethylamine; In methanol; chloroform; isopropyl alcohol;

DOI:10.1021/jm960869l

upstream raw materials:

N-(2,2-diphenylacetyl)piperazine

R-1-(5-quinolinyloxy)-2,3-epoxypropane

quinolin-5-ol

diphenylacetic acid chloride

Downstream raw materials:

methyl 1-O-<(S)-3-<4-(2,2-diphenylacetyl)piperazin-1-yl>-1-(quinolin-5-yloxy)-2-propyl>-2,3,4-tri-O-pivaloyl-β-D-glucuronate

methyl 1-O-<(R)-3-<4-(2,2-diphenylacetyl)piperazin-1-yl>-1-(quinolin-5-yloxy)-2-propyl>-2,3,4-tri-O-pivaloyl-β-D-glucuronate

rac-1-{4-[2-hydroxy-3-(5-quinolinyloxy)propyl]piperazin-1-yl}-2,2-diphenylethan-1-one fumarate

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