4-Benzylquinoline

Base Information

Chemical Name:4-Benzylquinoline
CAS No.:5632-14-4
Molecular Formula:C16H13N
Molecular Weight:219.286
Hs Code.:
DSSTox Substance ID:DTXSID101312673
Nikkaji Number:J81.064I
Mol file:5632-14-4.mol

Synonyms:5632-14-4;4-benzylquinoline;4-(Phenylmethyl)quinoline;SCHEMBL7073831;DTXSID101312673

Suppliers and Price of 4-Benzylquinoline

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

American Custom Chemicals Corporation
4-BENZYLISOQUINOLINE 95.00%
5MG
$ 499.73

Total 3 raw suppliers

Chemical Property of 4-Benzylquinoline

Chemical Property:

Melting Point:52-52.5 °C
Boiling Point:222-223 °C(Press: 19 Torr)
PKA:5.45±0.13(Predicted)
PSA：12.89000
Density:1.117±0.06 g/cm3(Predicted)
LogP:3.82560
XLogP3:4.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:219.104799419
Heavy Atom Count:17
Complexity:232

Purity/Quality:: 4-BENZYLISOQUINOLINE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)CC2=CC=NC3=CC=CC=C23

Technology Process of 4-Benzylquinoline

There total 17 articles about 4-Benzylquinoline 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: 95.0%

: 91-22-5
quinoline

: 100-44-7
benzyl chloride

: 5632-14-4
4-benzylquinoline

Guidance literature:: With bis(acetylacetonato)palladium(II); caesium carbonate; tricyclohexylphosphine; In tetrahydrofuran; at 60 ℃; for 8h;

Reference yield: 85.0%

: 491-35-0
C₆H₄NCH₂CHCCH₂

: 108-86-1,52753-63-6
bromobenzene

: 5632-14-4
4-benzylquinoline

Guidance literature:: C₆H₄NCH₂CHCCH₂; With zinc chloride-2,2,6,6-tetramethylpiperidin-1-ide lithium chloride complex; In tetrahydrofuran; at 25 ℃; for 1h; Inert atmosphere;

bromobenzene; With palladium diacetate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; at 50 ℃; for 1h;
DOI:10.3762/bjoc.12.16

Reference yield: 75.0%

: 611-35-8
4-chloroquinoline

: 27049-45-2
benzyl 2-pyridyl ketone

: 5632-14-4
4-benzylquinoline

Guidance literature:: With 2.9-dimethyl-1,10-phenanthroline; palladium(II) trifluoroacetate; potassium tert-butylate; In toluene; at 120 ℃; for 20h; Inert atmosphere;
DOI:10.1021/acs.orglett.8b02498