2-(4-Chlorobenzyl)-3-hydroxy-7,8,9,10-tetrahydrobenzo(H)quinoline-4-carboxylic acid

Base Information

Chemical Name:2-(4-Chlorobenzyl)-3-hydroxy-7,8,9,10-tetrahydrobenzo(H)quinoline-4-carboxylic acid
CAS No.:851546-61-7
Molecular Formula:C21H18ClNO3
Molecular Weight:367.832
Hs Code.:
UNII:LH1XC916ME
ChEMBL ID:CHEMBL219046
Metabolomics Workbench ID:153241
Wikidata:Q27282982
Mol file:851546-61-7.mol

Synonyms:2-(4-chlorobenzyl)-3-hydroxy-7,8,9,10-tetrahydrobenzo(H)quinoline-4-carboxylic acid;PSI 697;PSI-697;PSI697

Suppliers and Price of 2-(4-Chlorobenzyl)-3-hydroxy-7,8,9,10-tetrahydrobenzo(H)quinoline-4-carboxylic acid

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 5 raw suppliers

Chemical Property of 2-(4-Chlorobenzyl)-3-hydroxy-7,8,9,10-tetrahydrobenzo(H)quinoline-4-carboxylic acid

Chemical Property:

PSA：70.42000
LogP:4.76160
XLogP3:5.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:367.0975211
Heavy Atom Count:26
Complexity:508

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CCC2=C(C1)C=CC3=C(C(=C(N=C23)CC4=CC=C(C=C4)Cl)O)C(=O)O
Recent ClinicalTrials:Study Evaluating the Effects of PSI-697 on Platelets in Subjects Who Smoke
Recent EU Clinical Trials:A Double-Blind, Placebo-Controlled, Randomized, Single-Dose, 2-Period Crossover Study of the Pharmacodynamics of Orally Administered PSI-697 in Healthy Subjects Who Smoke

Technology Process of 2-(4-Chlorobenzyl)-3-hydroxy-7,8,9,10-tetrahydrobenzo(H)quinoline-4-carboxylic acid

There total 7 articles about 2-(4-Chlorobenzyl)-3-hydroxy-7,8,9,10-tetrahydrobenzo(H)quinoline-4-carboxylic acid 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: 41.0%

: 92952-46-0
1H-6,7,8,9-tetrahydro-benz[g]indole-2,3-dione

: 56955-38-5
3-(4-chlorophenyl)-2-oxopropyl acetate

: 851546-61-7
2-(4-chlorobenzyl)-3-hydroxy-7,8,9,10-tetrahydrobenzo[h]quinoline-4-carboxylic acid

Guidance literature:: With potassium hydroxide; In ethanol; for 5h; Heating;
DOI:10.1021/jm060631p

Reference yield: 40.8%

: 2-(4-chloro-benzyl)-3-hydroxy-7,8,9,10-tetrahydro-benzo[h]quinoline-4-carboxylic acid triethyl amine salt

: 851546-61-7
2-(4-chlorobenzyl)-3-hydroxy-7,8,9,10-tetrahydrobenzo[h]quinoline-4-carboxylic acid

Guidance literature:: With hydrogenchloride; In water; ethyl acetate;

Reference yield:

: 56955-38-5
3-(4-chlorophenyl)-2-oxopropyl acetate

: 721942-75-2
1-amino-5,6,7,8-tetrahydro-[2]naphthoic acid

: 851546-61-7
2-(4-chlorobenzyl)-3-hydroxy-7,8,9,10-tetrahydrobenzo[h]quinoline-4-carboxylic acid

Guidance literature:: 3-(4-chlorophenyl)-2-oxopropyl acetate; 1-amino-5,6,7,8-tetrahydro-[2]naphthoic acid; In ethanol; at 100 ℃; for 2.5h; Heating / reflux;

With hydrogenchloride; In ethanol; water; pH=< 0;