2-Chloro-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone

Base Information

• Chemical Name: 2-Chloro-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
• CAS No.: 408309-80-8
• Molecular Formula: C₁₁H₁₂ClNO
• Molecular Weight: 209.675
• DSSTox Substance ID: DTXSID30596764
• Wikidata: Q82492104
• Mol file: 408309-80-8.mol

Synonyms:408309-80-8;2-chloro-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone;SCHEMBL9138230;DTXSID30596764;DB-276414;2-chloro-1-(1,2,3,4-tetra hydro quino lin-6-yl)ethanone;2-Chloro-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethan-1-one;ETHANONE, 2-CHLORO-1-(1,2,3,4-TETRAHYDRO-6-QUINOLINYL)-

Chemical Property of 2-Chloro-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone

Chemical Property:

• PSA: 29.10000
• LogP: 2.60420
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 209.0607417
• Heavy Atom Count: 14
• Complexity: 219

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC2=C(C=CC(=C2)C(=O)CCl)NC1

Technology Process of 2-Chloro-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone

There total 3 articles about 2-Chloro-1-(1,2,3,4-tetrahydroquinolin-6-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: 70.0%

3,4-dihydro-2H-quinoline-1-carbaldehyde (2739-16-4) + chloroacetyl chloride (79-04-9) → 2-chloro-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone (408309-80-8)

Guidance literature:

3,4-dihydro-2H-quinoline-1-carbaldehyde; chloroacetyl chloride; With aluminum (III) chloride; for 12h; Cooling with ice;

With hydrogenchloride; In water;

DOI:10.2478/s11532-011-0092-9

Reference yield:

1-(1-acetyl-1,2,3,4-tetrahydroquinolin-6-yl)-2-chloroethan-1-one (861591-90-4) → 2-chloro-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone (408309-80-8)

Guidance literature:

With hydrogenchloride;

Reference yield:

1-acetyl-1,2,3,4-tetrahydroquinoline (4169-19-1) → 2-chloro-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone (408309-80-8)

Guidance literature:

Multi-step reaction with 2 steps

1: aluminium chloride; carbon disulfide

2: diluted hydrochloric acid

With hydrogenchloride; carbon disulfide; aluminium trichloride;

upstream raw materials:

1-(1-acetyl-1,2,3,4-tetrahydroquinolin-6-yl)-2-chloroethan-1-one

1-acetyl-1,2,3,4-tetrahydroquinoline

3,4-dihydro-2H-quinoline-1-carbaldehyde

chloroacetyl chloride

Downstream raw materials:

6-(2-{2-[5-(4-nitrophenyl)-1,3-oxazol-2-yl]phenyl}-1,3-oxazol-5-yl)-1,2,3,4-tetrahydroquinoline

1-(quinolin-6-yl)ethan-1-one