2-Chloro-1-(8-hydroxyquinolin-5-YL)ethanone

Base Information

• Chemical Name: 2-Chloro-1-(8-hydroxyquinolin-5-YL)ethanone
• CAS No.: 99973-51-0
• Molecular Formula: C11H8ClNO2
• Molecular Weight: 221.64000
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID20540498
• Wikidata: Q82416531
• Mol file: 99973-51-0.mol

Synonyms:2-CHLORO-1-(8-HYDROXYQUINOLIN-5-YL)ETHANONE;99973-51-0;2-Chloro-1-(8-hydroxyquinolin-5-yl)ethan-1-one;SCHEMBL10157045;DTXSID20540498;SMSSF-0625535;5-(chloroacetyl)-8-hydroxyquinoline;AKOS015850553;AMS_CNC_ID-581438370;SB69412;EN300-749034;2-Chloro-1-(8-hydroxy-5-quinolinyl)ethanone, AldrichCPR

Chemical Property of 2-Chloro-1-(8-hydroxyquinolin-5-YL)ethanone

Chemical Property:

• PSA: 50.19000
• LogP: 2.36190
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 221.0243562
• Heavy Atom Count: 15
• Complexity: 247

Purity/Quality:

97% ^*data from raw suppliers

2-Chloro-1-(8-hydroxyquinolin-5-yl)ethanone 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=CC(=C2N=C1)O)C(=O)CCl

Technology Process of 2-Chloro-1-(8-hydroxyquinolin-5-YL)ethanone

There total 3 articles about 2-Chloro-1-(8-hydroxyquinolin-5-YL)ethanone 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: 38.5%

8-quinolinol (148-24-3,24804-14-6) + chloroacetyl chloride (79-04-9) → 2-Chlor-1-(8-hydroxychinol-5-yl)ethan-1-on (99973-51-0)

Guidance literature:

8-quinolinol; chloroacetyl chloride; With aluminum (III) chloride; In nitrobenzene; at 0 - 100 ℃; for 35h; Inert atmosphere;

With hydrogenchloride; water; at 20 ℃; for 72h;

With sodium acetate; pH=6;

Reference yield:

8-quinolinol (148-24-3,24804-14-6) + 1,1,2,2-tetrachloroethane (79-34-5) → 2-Chlor-1-(8-hydroxychinol-5-yl)ethan-1-on (99973-51-0)

Guidance literature:

With nitrobenzene; at 100 ℃;

DOI:10.1021/jo01186a009

Reference yield:

8-quinolinol (148-24-3,24804-14-6) + acetyl chloride (75-36-5) → 2-Chlor-1-(8-hydroxychinol-5-yl)ethan-1-on (99973-51-0)

Guidance literature:

With potassium hydroxide; aluminium trichloride; Yield given;

upstream raw materials:

8-quinolinol

chloroacetyl chloride

1,1,2,2-tetrachloroethane

acetyl chloride

Downstream raw materials:

1-(8-Hydroxychinol-5-yl)-3-phenylpropan-1,3-dion

trans-1-(7-Diethylaminomethyl-8-hydroxychinol-5-yl)-2,3-epoxy-3-phenylpropan-1-on

trans-2,3-Epoxy-1-<8-hydroxy-7-(pyrrolidin-1-ylmethyl)chinol-5-yl>-3-phenylpropan-1-on

trans-2,3-Epoxy-1-(8-hydroxy-7-piperidinomethylchinol-5-yl)-3-phenylpropan-1-on