Cas no 956631-90-6 (2-Chloro-5,7-difluoroquinoline-3-carbaldehyde)

2-Chloro-5,7-difluoroquinoline-3-carbaldehyde structure
956631-90-6 structure
Product Name:2-Chloro-5,7-difluoroquinoline-3-carbaldehyde
CAS No:956631-90-6
MF:C10H4ClF2NO
MW:227.594668388367
MDL:MFCD26399738
CID:2122038
PubChem ID:57861250
Update Time:2024-10-25

2-Chloro-5,7-difluoroquinoline-3-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • 2-chloro-5,7-difluoroquinoline-3-carboxaldehyde
    • 2-chloro-5,7-difluoroquinoline-3-carbaldehyde
    • NHFLCHHJWIUYNO-UHFFFAOYSA-N
    • SY034216
    • 3-Quinolinecarboxaldehyde,2-chloro-5,7-difluoro-
    • 3-Quinolinecarboxaldehyde, 2-chloro-5,7-difluoro-
    • 2-Chloro-5,7-difluoro-3-quinolinecarboxaldehyde (ACI)
    • MFCD26399738
    • CS-11963
    • EN300-703672
    • 956631-90-6
    • SB71627
    • DB-330131
    • AKOS027257084
    • AC1574
    • SCHEMBL5526
    • CS-0157348
    • 2-Chloro-5,7-difluoroquinoline-3-carbaldehyde
    • MDL: MFCD26399738
    • Inchi: 1S/C10H4ClF2NO/c11-10-5(4-15)1-7-8(13)2-6(12)3-9(7)14-10/h1-4H
    • InChI Key: NHFLCHHJWIUYNO-UHFFFAOYSA-N
    • SMILES: O=CC1C(Cl)=NC2C(=C(C=C(C=2)F)F)C=1

Computed Properties

  • Exact Mass: 226.9949478g/mol
  • Monoisotopic Mass: 226.9949478g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 254
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 30
  • XLogP3: 2.8

Experimental Properties

  • Density: 1.529±0.06 g/cm3 (20 oC 760 Torr),
  • Solubility: Almost insoluble (0.052 g/l) (25 o C),

2-Chloro-5,7-difluoroquinoline-3-carbaldehyde Pricemore >>

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2-Chloro-5,7-difluoroquinoline-3-carbaldehyde Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Phosphorus oxychloride Solvents: Dimethylformamide ;  0 - 5 °C; 4 - 16 h, 85 - 90 °C
1.2 Solvents: Water ;  1 h, cooled; overnight, cooled
Reference
Studies on synthesis and antimicrobial activity of quinoline pyrimidine derivatives
Patel, Vivek S.; Patel, Mayank S.; Tailor, Rahul B.; Patel, Divyanshu D.; Paresh, Paresh S., Journal of Applicable Chemistry (Lumami, 2019, 8(4), 1724-1730

Production Method 2

Reaction Conditions
1.1 Reagents: Phosphorus oxychloride ;  0 - 5 °C; 4 - 16 h, 85 - 90 °C
1.2 Solvents: Water ;  1 h, cooled; overnight, cooled
Reference
Studies on synthesis of quinolinylchalcones as a new class of anti-microbial agents
Patel, Vivek S.; Patel, Mayank S.; Patel, Divyanshu D.; Patel, P. S.; Patel, K. C., International Journal of Advanced Research, 2014, 2(4), 1125-1128

Production Method 3

Reaction Conditions
1.1 Reagents: Phosphorus oxychloride ;  0 - 5 °C; 4 - 16 h, 85 - 90 °C
1.2 Solvents: Water ;  1 h, 0 °C; overnight, 0 °C
Reference
Synthesis and anti-microbial activity of some pyrimidine derivatives containing quinoline ring
Patel, Vivek S.; Patel, Divyanshu D.; Patel, Mayank S.; Patel, P. S.; Patel, K. C., World Journal of Pharmacy and Pharmaceutical Sciences, 2016, 5(6), 1875-1883

Production Method 4

Reaction Conditions
1.1 Reagents: Phosphorus oxychloride ;  0 °C; 0 °C → rt; 30 min, rt
1.2 rt; overnight, 75 °C
Reference
Discovery and in Vivo Evaluation of (S)-N-(1-(7-Fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine (AMG319) and Related PI3Kδ Inhibitors for Inflammation and Autoimmune Disease
Cushing, Timothy D.; Hao, Xiaolin; Shin, Youngsook; Andrews, Kristin; Brown, Matthew; et al, Journal of Medicinal Chemistry, 2015, 58(1), 480-511

2-Chloro-5,7-difluoroquinoline-3-carbaldehyde Raw materials

2-Chloro-5,7-difluoroquinoline-3-carbaldehyde Preparation Products

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