Cas no 898391-75-8 (6-Bromoquinoline-4-carbaldehyde)

6-Bromoquinoline-4-carbaldehyde structure
898391-75-8 structure
Product Name:6-Bromoquinoline-4-carbaldehyde
CAS No:898391-75-8
MF:C10H6BrNO
MW:236.064741611481
MDL:MFCD06824354
CID:844512
PubChem ID:23362089
Update Time:2024-10-26

6-Bromoquinoline-4-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • 6-Bromoquinoline-4-carbaldehyde
    • 4-Quinolinecarboxaldehyde, 6-bromo-
    • 6-bromo-4-Quinolinecarboxaldehyde
    • FCH1382629
    • AK128017
    • AX8249808
    • 6-Bromo-4-quinolinecarboxaldehyde (ACI)
    • AS-62162
    • CS-0113047
    • C77033
    • AKOS015900817
    • DB-078524
    • DTXSID80633370
    • SCHEMBL9034955
    • 898391-75-8
    • SB71474
    • MDL: MFCD06824354
    • Inchi: 1S/C10H6BrNO/c11-8-1-2-10-9(5-8)7(6-13)3-4-12-10/h1-6H
    • InChI Key: HXUKIEBEEIAVFD-UHFFFAOYSA-N
    • SMILES: O=CC1C2C(=CC=C(C=2)Br)N=CC=1

Computed Properties

  • Exact Mass: 234.96328g/mol
  • Monoisotopic Mass: 234.96328g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 197
  • 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: 2.3

6-Bromoquinoline-4-carbaldehyde Pricemore >>

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6-Bromoquinoline-4-carbaldehyde Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Selenium dioxide Solvents: 1,4-Dioxane ,  Water ;  2 h, 100 °C
Reference
Structural optimization towards promising β-methyl-4-acrylamido quinoline derivatives as PI3K/mTOR dual inhibitors for anti-cancer therapy: The in vitro and in vivo biological evaluation
He, Ruoyu; Xu, Bingyong; Ping, Li; Lv, Xiaoqing, European Journal of Medicinal Chemistry, 2021, 214,

Production Method 2

Reaction Conditions
1.1 Reagents: Iodine ,  Oxygen Solvents: Dimethyl sulfoxide ;  4 - 6 h, 110 °C
1.2 Solvents: Water
Reference
Metal-free oxidative C(sp3)-H functionalization: a facile route to quinoline formaldehydes from methyl-azaheteroarenes
Weng, Wei-Zhao; Guo, Jiang-Shan; Liu, Kai-Xuan; Shao, Tian-Qi; Song, Li-Qun; et al, Canadian Journal of Chemistry, 2020, 98(4), 179-183

Production Method 3

Reaction Conditions
1.1 Reagents: Dichloroacetic acid ,  Iodobenzene diacetate ,  Water Solvents: Dimethyl sulfoxide ;  48 h, rt
1.2 Reagents: Sodium carbonate Solvents: Water
Reference
Metal-Free Chemoselective Oxidation of 4-Methylquinolines into Quinoline-4-Carbaldehydes
Xu, Jincheng; Li, Yang; Ding, Tianling; Guo, Hao, Chemistry - An Asian Journal, 2021, 16(20), 3114-3117

Production Method 4

Reaction Conditions
1.1 Reagents: Selenium dioxide Solvents: 1,4-Dioxane ,  Water ;  2 h, 100 °C
Reference
Novel 4-acrylamido-quinoline derivatives as potent PI3K/mTOR dual inhibitors: the design, synthesis, and in vitro and in vivo biological evaluation
Ma, Xiaodong; Shen, Li; Zhang, Jiankang; Liu, Guoqiang; Zhan, Shuyu; et al, Frontiers in Chemistry (Lausanne, 2019, 7,

Production Method 5

Reaction Conditions
1.1 Reagents: Oxygen ,  Cesium fluoride Solvents: Ethyl acetate ;  15 h, 25 °C
Reference
Transition-Metal-Free Oxidation of Benzylic C-H Bonds of Six-Membered N-Heteroaromatic Compounds
Gao, Xianying; Han, Shuaijun; Zheng, Maolin; Liang, Apeng; Li, Jingya; et al, Journal of Organic Chemistry, 2019, 84(7), 4040-4049

6-Bromoquinoline-4-carbaldehyde Raw materials

6-Bromoquinoline-4-carbaldehyde Preparation Products

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