1,4-Dibutyl-3-phenyl-5,6,7,8-tetrahydroisoquinoline

Base Information

Chemical Name:1,4-Dibutyl-3-phenyl-5,6,7,8-tetrahydroisoquinoline
CAS No.:440365-50-4
Molecular Formula:C23H31N
Molecular Weight:321.49900
Hs Code.:
DSSTox Substance ID:DTXSID40699659
Nikkaji Number:J1.747.864H
Wikidata:Q82630665
Mol file:440365-50-4.mol

Synonyms:1,4-DIBUTYL-3-PHENYL-5,6,7,8-TETRAHYDROISOQUINOLINE;440365-50-4;DTXSID40699659

Suppliers and Price of 1,4-Dibutyl-3-phenyl-5,6,7,8-tetrahydroisoquinoline

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 1,4-Dibutyl-3-phenyl-5,6,7,8-tetrahydroisoquinoline

Chemical Property:

Boiling Point:431.3±44.0 °C(Predicted)
PKA:6.44±0.20(Predicted)
PSA：12.89000
Density:0.984±0.06 g/cm3(Predicted)
LogP:6.31260
XLogP3:7.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:7
Exact Mass:321.245649993
Heavy Atom Count:24
Complexity:346

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCC1=C(N=C(C2=C1CCCC2)CCCC)C3=CC=CC=C3

Technology Process of 1,4-Dibutyl-3-phenyl-5,6,7,8-tetrahydroisoquinoline

There total 5 articles about 1,4-Dibutyl-3-phenyl-5,6,7,8-tetrahydroisoquinoline 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: 73.0%

: 440365-44-6
C₁₆H₂₆I₂

: 100-47-0
benzonitrile

: 440365-50-4
3-phenyl-1,4-dibutyl-5,6,7,8-tetrahydroisoquinoline

Guidance literature:: C₁₆H₂₆I₂; With tert.-butyl lithium; In diethyl ether; pentane; at -78 ℃; for 1h; Inert atmosphere;

With N,N,N,N,N,N-hexamethylphosphoric triamide; In diethyl ether; pentane; at 20 ℃; for 0.5h; Inert atmosphere;

benzonitrile; In diethyl ether; pentane; at 20 ℃; for 3h; Inert atmosphere;
DOI:10.1002/chem.200701742

Reference yield:

: 100-47-0
benzonitrile

: 592530-80-8
C₁₆H₂₆Li₂

: 440365-50-4
3-phenyl-1,4-dibutyl-5,6,7,8-tetrahydroisoquinoline

Guidance literature:: C₁₆H₂₆Li₂; With N,N,N,N,N,N-hexamethylphosphoric triamide; In diethyl ether; pentane; at 20 ℃; for 0.5h;

benzonitrile; In diethyl ether; pentane; at 20 ℃; for 1h; Further stages.;
DOI:10.1021/ja0262176

Reference yield:

: 100-47-0
benzonitrile

: C₁₆H₂₇Li

: 440365-50-4
3-phenyl-1,4-dibutyl-5,6,7,8-tetrahydroisoquinoline

Guidance literature:: C₁₆H₂₇Li; With N,N,N,N,N,N-hexamethylphosphoric triamide; In diethyl ether; pentane; at 20 ℃; for 0.5h;

benzonitrile; In diethyl ether; pentane; at 20 ℃; for 1h; Further stages.;
DOI:10.1021/ja0262176