Abanoquil

Base Information

Chemical Name:Abanoquil
CAS No.:90402-40-7
Molecular Formula:C₂₂H₂₅N₃O₄
Molecular Weight:395.458
Hs Code.:
UNII:F738MWY53L
DSSTox Substance ID:DTXSID40238163
Nikkaji Number:J355.445G
Wikipedia:Abanoquil
Wikidata:Q4118279
NCI Thesaurus Code:C72566
Pharos Ligand ID:KY1WAGSNRFMH
ChEMBL ID:CHEMBL324090
Mol file:90402-40-7.mol

Synonyms:4-amino-6,7-dimethoxy-2-(1,2,3,4-tetrahydro-6,7-dimethoxyisoquinol-2-yl)quinoline methanesulfonate;abanoquil;UK 52046;UK 52046-27;UK-52,046;UK-52046

Suppliers and Price of Abanoquil

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 4 raw suppliers

Chemical Property of Abanoquil

Chemical Property:

Vapor Pressure:8.49E-16mmHg at 25°C
Boiling Point:630.3°Cat760mmHg
Flash Point:335°C
PSA：79.07000
Density:1.246g/cm³
LogP:4.06030
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:395.18450629
Heavy Atom Count:29
Complexity:538

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=C(C=C2CN(CCC2=C1)C3=NC4=CC(=C(C=C4C(=C3)N)OC)OC)OC

Technology Process of Abanoquil

There total 6 articles about Abanoquil 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: 48.0%

: 90402-41-8
2-[1-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-eth-(E)-ylideneamino]-4,5-dimethoxy-benzonitrile

: 90402-40-7
abanoquil

Guidance literature:: With zinc(II) chloride; In N,N-dimethyl acetamide; for 2h; Heating;
DOI:10.1016/S0040-4039(01)81527-6

Reference yield:

: 26961-27-3
2-amino-4,5-dimethoxybenzonitrile

: 90402-40-7
abanoquil

Guidance literature:: Multi-step reaction with 2 steps

1: POCl₃ / CHCl₃

2: 48 percent / ZnCl₂ / N,N-dimethyl-acetamide / 2 h / Heating

With zinc(II) chloride; trichlorophosphate; In chloroform; N,N-dimethyl acetamide;
DOI:10.1016/S0040-4039(01)81527-6

Reference yield:

: 1745-07-9
6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

: 90402-40-7
abanoquil

Guidance literature:: Multi-step reaction with 2 steps

1: H⁺ / 150 °C

2: 48 percent / ZnCl₂ / N,N-dimethyl-acetamide / 2 h / Heating

With zinc(II) chloride; hydrogen cation; In N,N-dimethyl acetamide;
DOI:10.1016/S0040-4039(01)81527-6