Tretoquinolum

Base Information

Chemical Name:Tretoquinolum
CAS No.:30418-38-3
Molecular Formula:C19H23NO5
Molecular Weight:345.38962
Hs Code.:
UNII:JIO3275WGI
DSSTox Substance ID:DTXSID7023695
Nikkaji Number:J60.102K
Wikipedia:Tretoquinol
Wikidata:Q7838878
NCI Thesaurus Code:C66629
Metabolomics Workbench ID:154479
ChEMBL ID:CHEMBL174984
Mol file:30418-38-3.mol

Synonyms:AQ 110;AQ-110;AQ110;AQL 208;AQL-208;AQL208;CV 705;CV-705;CV705;Tetroquinol;Tretoquinol;Tretoquinol Hydrochloride;Tretoquinol Hydrochloride Anhydrous;Tretoquinol Hydrochloride, (S)-Isomer;Tretoquinol-(R);Tretoquinol-(S) HCl;Trimethoquinol;Trimetoquinol

Suppliers and Price of Tretoquinolum

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
TRETOQUINOL 95.00%
5MG
$ 503.90

Total 8 raw suppliers

Chemical Property of Tretoquinolum

Chemical Property:

Vapor Pressure:5.47E-12mmHg at 25°C
Refractive Index:1.593
Boiling Point:533.3 °C at 760 mmHg
PKA:9.70±0.40(Predicted)
Flash Point:276.3 °C
PSA：80.18000
Density:1.235 g/cm³
LogP:2.88190
XLogP3:2.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:345.15762283
Heavy Atom Count:25
Complexity:409

Purity/Quality:

98%min ^*data from raw suppliers

TRETOQUINOL 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC(=CC(=C1OC)OC)CC2C3=CC(=C(C=C3CCN2)O)O
Isomeric SMILES:COC1=CC(=CC(=C1OC)OC)C[C@H]2C3=CC(=C(C=C3CCN2)O)O

Technology Process of Tretoquinolum

There total 2 articles about Tretoquinolum 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:

: 114818-96-1
(S)-6,7-Bis(benzyloxy)-1-<(3,4,5-trimethoxyphenyl)methyl>-1,2,3,4-tetrahydroisoquinoline

: 30418-38-3
(-)-Trimetoquinol

Guidance literature:: With hydrogenchloride; hydrogen; palladium on activated charcoal; In ethanol;
DOI:10.1021/ja00282a054

Reference yield:

: 104621-40-1
(Z)-2-Acetyl-6,7-bis(benzyloxy)-1-<(3,4,5-trimethoxyphenyl)methylene>-1,2,3,4-tetrahydroisoquinoline

: 30418-38-3
(-)-Trimetoquinol

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) hydrogen / Δ-(S)-1 / 2.) deacetylation

2: hydrogen, HCl / Pd/C / ethanol

With hydrogenchloride; hydrogen; palladium on activated charcoal; In ethanol;
DOI:10.1021/ja00282a054