2-Chloroquinoline-6-carbaldehyde

Base Information

• Chemical Name: 2-Chloroquinoline-6-carbaldehyde
• CAS No.: 791626-59-0
• Molecular Formula: C10H6 Cl N O
• Molecular Weight: 191.617
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID70460137
• Wikidata: Q72459297
• Mol file: 791626-59-0.mol

Synonyms:2-chloroquinoline-6-carbaldehyde;791626-59-0;2-Chloro-6-quinolinecarboxaldehyde;2-Chloro-quinoline-6-carbaldehyde;SCHEMBL2972151;DTXSID70460137;JRXFGSDIVFFZTM-UHFFFAOYSA-N;MFCD08236769;ZB0072;AKOS006285273;AB43967;DS-5075;2-CHLOROQUINOLINE-6-CARBOXALDEHYDE;CS-0135293;FT-0702883;N13262

Chemical Property of 2-Chloroquinoline-6-carbaldehyde

Chemical Property:

• Melting Point: 165-167℃
• Boiling Point: 343.4±22.0 °C(Predicted)
• PKA: -0.53±0.43(Predicted)
• PSA: 29.96000
• Density: 1.364±0.06 g/cm3(Predicted)
• LogP: 2.70070
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 191.0137915
• Heavy Atom Count: 13
• Complexity: 197

Purity/Quality:

98%min ^*data from raw suppliers

2-Chloroquinoline-6-carbaldehyde 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(=N2)Cl)C=C1C=O

Technology Process of 2-Chloroquinoline-6-carbaldehyde

There total 7 articles about 2-Chloroquinoline-6-carbaldehyde 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: 92.0%

6-bromomethyl-2-chloro-quinoline (123637-77-4) + 2-chloro-6-dibromomethylquinoline → 2-chloroquinoline-6-carbaldehyde (791626-59-0)

Guidance literature:

6-bromomethyl-2-chloro-quinoline; 2-chloro-6-dibromomethylquinoline; With hexamethylenetetramine; In ethanol; water; for 1h; Heating / reflux;

With hydrogenchloride; water; In ethanol; at 20 ℃; for 0.583333h; Heating / reflux;

Reference yield: 52.0%

2-chloro-6-methylquinoline (4295-11-8) → 2-chloroquinoline-6-carbaldehyde (791626-59-0)

Guidance literature:

2-chloro-6-methylquinoline; With N-Bromosuccinimide; dibenzoyl peroxide; In benzene; for 4h; Heating;

With hexamethylenetetramine; In ethanol; for 1h; Heating;

With hydrogenchloride; In ethanol; for 0.5h; Heating;

DOI:10.1021/jm049533z

Reference yield:

C9H5ClLiN + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 2-chloroquinoline-6-carbaldehyde (791626-59-0)

Guidance literature:

C₉H₅ClLiN; N,N-dimethyl-formamide; In tetrahydrofuran; hexane; at -78 - 20 ℃;

With water; ammonium chloride; In tetrahydrofuran; hexane;

upstream raw materials:

2-chloro-6-methylquinoline

6-bromomethyl-2-chloro-quinoline

N,N-dimethyl-formamide

6-bromo-2-chloroquinoline

Downstream raw materials:

5-[2-(2-fluoro-phenyl)-quinolin-6-yl]-4H-thieno[3,2-b]pyrrole-2-carboxylic acid methyl ester

2-oxo-1,2-dihydroquinoline-6-carbaldehyde