1-(2-(4-(3-Phenyl-2H-1-benzopyran-2-yl)phenoxy)ethyl)piperidine

Base Information

• Chemical Name: 1-(2-(4-(3-Phenyl-2H-1-benzopyran-2-yl)phenoxy)ethyl)piperidine
• CAS No.: 130064-18-5
• Molecular Formula: C₂₈H₂₉NO₂
• Molecular Weight: 411.544
• NSC Number: 607873
• DSSTox Substance ID: DTXSID30926582
• Nikkaji Number: J358.569G
• ChEMBL ID: CHEMBL27283
• Mol file: 130064-18-5.mol

Synonyms:2-(4-(2-N-piperidino)ethoxyphenyl)-3-phenyl(2H)benzo(b)pyran;2-(4-(2-piperidinoethoxy)phenyl)-3-phenyl-2H-1-benzopyran;CDRI 85-287;CDRI-85-287;PEPP

Chemical Property of 1-(2-(4-(3-Phenyl-2H-1-benzopyran-2-yl)phenoxy)ethyl)piperidine

Chemical Property:

• Vapor Pressure: 9.33E-13mmHg at 25°C
• Boiling Point: 564.3°C at 760 mmHg
• Flash Point: 177.7°C
• PSA: 21.70000
• Density: 1.139g/cm³
• LogP: 6.16350
• XLogP3: 6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 411.219829168
• Heavy Atom Count: 31
• Complexity: 570

Purity/Quality:

98%min ^*data from raw suppliers

CDRI 85-287 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(CC1)CCOC2=CC=C(C=C2)C3C(=CC4=CC=CC=C4O3)C5=CC=CC=C5

Technology Process of 1-(2-(4-(3-Phenyl-2H-1-benzopyran-2-yl)phenoxy)ethyl)piperidine

There total 1 articles about 1-(2-(4-(3-Phenyl-2H-1-benzopyran-2-yl)phenoxy)ethyl)piperidine 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:

N-chloroethylpiperidine hydrochloride (2008-75-5) + 2-(4-hydroxyphenyl)-3-phenyl-2H-1-benzopyran (130378-73-3) → CDRI 85/287 (130064-18-5)

Guidance literature:

With potassium carbonate; In acetone; for 30h; Heating;

DOI:10.1021/jm00174a019

Reference yield:

Di-p-toluoyl-L-tartaric acid (32634-66-5) + CDRI 85/287 (130064-18-5) → L-2-[4-(2-piperidinoethoxy)phenyl]-3-phenyl-2H-1-benzopyran-di-p-toluoyl-L-tartrate

Guidance literature:

In ethanol; for 4h; Heating;

DOI:10.1016/S0968-0896(99)00131-5

Reference yield:

(2S,3S)-di-4-toluoyltartaric acid (32634-68-7) + CDRI 85/287 (130064-18-5) → D-2-[4-(2-piperidinoethoxy)phenyl]-3-phenyl-2H-1-benzopyran-di-p-toluoyl-D-tartrate

Guidance literature:

In ethanol; for 4h; Heating;

DOI:10.1016/S0968-0896(99)00131-5

upstream raw materials:

N-chloroethylpiperidine hydrochloride

2-(4-hydroxyphenyl)-3-phenyl-2H-1-benzopyran