{2-[(4-fluorophenyl)sulfonyl](3-1,2,3,4-tetrahydroisoquinolyl)}-N-(2-phenyleth yl)carboxamide

Base Information

Chemical Name:{2-[(4-fluorophenyl)sulfonyl](3-1,2,3,4-tetrahydroisoquinolyl)}-N-(2-phenyleth yl)carboxamide
CAS No.:5123-09-1
Molecular Formula:C24H23FN2O3S
Molecular Weight:438.5144
Hs Code.:
DSSTox Substance ID:DTXSID90389674
Mol file:5123-09-1.mol

Synonyms:5123-09-1;{2-[(4-fluorophenyl)sulfonyl](3-1,2,3,4-tetrahydroisoquinolyl)}-N-(2-phenyleth yl)carboxamide;ST50101691;Oprea1_631355;Oprea1_744641;DTXSID90389674;AKOS000531244;AKOS016088593;SR-01000505239;SR-01000505239-1

Suppliers and Price of {2-[(4-fluorophenyl)sulfonyl](3-1,2,3,4-tetrahydroisoquinolyl)}-N-(2-phenyleth yl)carboxamide

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 1 raw suppliers

Chemical Property of {2-[(4-fluorophenyl)sulfonyl](3-1,2,3,4-tetrahydroisoquinolyl)}-N-(2-phenyleth yl)carboxamide

Chemical Property:

Density:1.304g/cm³
XLogP3:4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:438.14134194
Heavy Atom Count:31
Complexity:696

Purity/Quality:: 95% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)F)C(=O)NCCC4=CC=CC=C4

Technology Process of {2-[(4-fluorophenyl)sulfonyl](3-1,2,3,4-tetrahydroisoquinolyl)}-N-(2-phenyleth yl)carboxamide

There total 2 articles about {2-[(4-fluorophenyl)sulfonyl](3-1,2,3,4-tetrahydroisoquinolyl)}-N-(2-phenyleth yl)carboxamide 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: 79.0%

: 63503-60-6
3-chlorophenylboronic acid

: 111-42-2
2,2'-iminobis[ethanol]

: 5123-09-1
2-(3-chloro-phenyl)-[1,3,6,2]dioxazaborocane

Guidance literature:: In toluene; at 20 ℃; for 2h;

Reference yield:

: 625-99-0
3-iodochlorobenzene

: 5123-09-1
2-(3-chloro-phenyl)-[1,3,6,2]dioxazaborocane

Guidance literature:: Multi-step reaction with 2 steps

1: (i) (UV-irradiation), BBr₃, (ii) aq. NaOH

2: acetone

In acetone;
DOI:10.1039/j39660000566