3-methyl-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide

Base Information

Chemical Name:3-methyl-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
CAS No.:174635-69-9
Molecular Formula:C26H24N2O
Molecular Weight:380.4816
Hs Code.:
DSSTox Substance ID:DTXSID90938540
Nikkaji Number:J750.056D
Wikidata:Q27088710
Pharos Ligand ID:WDR6DPGUM87P
ChEMBL ID:CHEMBL10284
Mol file:174635-69-9.mol

Synonyms:N-(alpha-ethylbenzyl)-3-methyl-2-phenylquinoline-4-carboxamide;SB 222200;SB-222200

Suppliers and Price of 3-methyl-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-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

TRC
3-Methyl-2-phenyl-N-[(1S)-1-phenylpropyl]-4-quinolinecarboxamide
1g
$ 165.00

Tocris
SB 222200 ≥98%(HPLC)
50
$ 900.00

Tocris
SB 222200 ≥98%(HPLC)
10
$ 214.00

Sigma-Aldrich
SB 222200 ≥98% (HPLC), solid
10mg
$ 226.00

Sigma-Aldrich
SB 222200 ≥98% (HPLC), solid
50mg
$ 888.00

Medical Isotopes, Inc.
3-Methyl-2-phenyl-N-[(1S)-1-phenylpropyl]-4-quinolinecarboxamide
10 g
$ 2200.00

DC Chemicals
SB 222200 >98%
1 g
$ 1800.00

DC Chemicals
SB 222200 >98%
250 mg
$ 900.00

CSNpharm
SB 222200
50mg
$ 568.00

Crysdot
SB 222200 98+%
50mg
$ 365.00

Total 10 raw suppliers

Chemical Property of 3-methyl-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide

Chemical Property:

Vapor Pressure:2.7E-12mmHg at 25°C
Melting Point:154℃
Boiling Point:553.5°Cat760mmHg
PKA:12.88±0.46(Predicted)
Flash Point:288.6°C
PSA：41.99000
Density:1.142g/cm³
LogP:6.48220
Storage Temp.:2-8°C
Solubility.:DMSO: ~28 mg/mL, soluble
XLogP3:5.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:380.188863393
Heavy Atom Count:29
Complexity:523

Purity/Quality:

97% ^*data from raw suppliers

3-Methyl-2-phenyl-N-[(1S)-1-phenylpropyl]-4-quinolinecarboxamide ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Safety Statements: 22-24/25

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC(C1=CC=CC=C1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)C
Isomeric SMILES:CC[C@@H](C1=CC=CC=C1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)C
Uses 3-Methyl-2-phenyl-N-[(1S)-1-phenylpropyl]-4-quinolinecarboxamide is a chemical agent used in the preparation of acylpiperazinyl-pyrazoles as antagonists to the NK3 receptor as antipsychotics (1,2).

Technology Process of 3-methyl-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide

There total 11 articles about 3-methyl-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-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: 25.0%

: 661-69-8
hexamethyldistannane

: 174636-18-1
(S)-N-(1-phenylpropyl)-3-bromo-2-phenylquinoline-4-carboxamide

: 174636-20-5
2-phenyl-4-(carboxy-(S)-α-ethylbenzylamine)quinoline

: 174635-69-9
(-)-(S)-N-(α-ethylbenzyl)-3-methyl-2-phenylquinoline-4-carboxamide

Guidance literature:: tetrakis(triphenylphosphine) palladium⁽⁰⁾; In 1,4-dioxane; for 72h; Heating;
DOI:10.1021/jo062285p

Reference yield:

: 174636-20-5
2-phenyl-4-(carboxy-(S)-α-ethylbenzylamine)quinoline

: 74-88-4
methyl iodide

: 174635-69-9
(-)-(S)-N-(α-ethylbenzyl)-3-methyl-2-phenylquinoline-4-carboxamide

Guidance literature:: 2-phenyl-4-(carboxy-(S)-α-ethylbenzylamine)quinoline; With n-butyllithium; N,N,N,N,-tetramethylethylenediamine; In tetrahydrofuran; hexane; at -60 ℃; for 5h;

With trimethyltin(IV)chloride; In tetrahydrofuran; hexane; at -60 ℃; for 1h;

methyl iodide; With potassium carbonate; tris-(o-tolyl)phosphine; copper(l) chloride; tris(dibenzylideneacetone)dipalladium ⁽⁰⁾; In N,N-dimethyl-formamide; at 90 ℃; for 24h;
DOI:10.1021/jo062285p

Reference yield:

: 174636-20-5
2-phenyl-4-(carboxy-(S)-α-ethylbenzylamine)quinoline

: 74-88-4
methyl iodide

: 3-methyl-2-phenyl-quinoline-4-carboxylic acid methyl-(1-phenyl-propyl)-amide

: 174635-69-9
(-)-(S)-N-(α-ethylbenzyl)-3-methyl-2-phenylquinoline-4-carboxamide

Guidance literature:: 2-phenyl-4-(carboxy-(S)-α-ethylbenzylamine)quinoline; With n-butyllithium; N,N,N,N,-tetramethylethylenediamine; In tetrahydrofuran; hexane; at -60 ℃; for 5h;

With trimethyltin(IV)chloride; In tetrahydrofuran; hexane; at -60 ℃; for 1h;

methyl iodide; With potassium carbonate; tris-(o-tolyl)phosphine; copper(l) chloride; tris(dibenzylideneacetone)dipalladium ⁽⁰⁾; In N,N-dimethyl-formamide; at 90 ℃; for 24h;
DOI:10.1021/jo062285p