Cas no 90098-06-9 (4-Deschloro-2-chlorobenzoyl Rebapimide)

4-Deschloro-2-chlorobenzoyl Rebapimide structure
90098-06-9 structure
Product Name:4-Deschloro-2-chlorobenzoyl Rebapimide
CAS No:90098-06-9
MF:C19H15ClN2O4
MW:370.786403894424
MDL:MFCD30748223
CID:1079915
PubChem ID:13342115
Update Time:2024-10-26

4-Deschloro-2-chlorobenzoyl Rebapimide Chemical and Physical Properties

Names and Identifiers

    • Rebamipide 2-Chloro Impurity
    • 2-(2-chlorobenzamido)-3-(2-oxo-1,2-dihydroquinolin-4-yl)propanoic acid
    • 4-Deschloro-2-chlorobenzoyl Rebapimide
    • α-[(2-Chlorobenzoyl)amino]-1,2-dihydro-2-oxo-4-quinolinepropanoic acid
    • α-[(2-Chlorobenzoyl)amino]-1,2-dihydro-2-oxo-4-quinolinepropanoic acid (ACI)
    • SCHEMBL9294191
    • alpha-[(2-Chlorobenzoyl)amino]-1,2-dihydro-2-oxo-4-Quinolinepropanoic Acid;
    • 90098-06-9
    • AKOS037650761
    • 2-[(2-chlorophenyl)formamido]-3-(2-oxo-1H-quinolin-4-yl)propanoic acid
    • 2-[(2-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoic acid
    • 4-Deschloro-2-chlorobenzoylRebapimide
    • -[(2-Chlorobenzoyl)amino]-1,2-dihydro-2-oxo-4-quinolinepropanoic acid
    • CS-15278
    • 2-(2-chlorobenzamido)-3-(2-hydroxyquinolin-4-yl)propanoic acid
    • CS-B1649
    • alpha-[(2-Chlorobenzoyl)amino]-1,2-dihydro-2-oxo-4-quinolinepropanoic acid
    • C13242
    • MDL: MFCD30748223
    • Inchi: 1S/C19H15ClN2O4/c20-14-7-3-1-6-13(14)18(24)22-16(19(25)26)9-11-10-17(23)21-15-8-4-2-5-12(11)15/h1-8,10,16H,9H2,(H,21,23)(H,22,24)(H,25,26)
    • InChI Key: CICRNAAVEZYNSB-UHFFFAOYSA-N
    • SMILES: O=C1NC2C(=CC=CC=2)C(CC(C(O)=O)NC(C2C(Cl)=CC=CC=2)=O)=C1

Computed Properties

  • Exact Mass: 370.0720347g/mol
  • Monoisotopic Mass: 370.0720347g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 5
  • Complexity: 606
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 95.5
  • XLogP3: 2.4

Experimental Properties

  • Density: 1.394±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 270.5-271.50 oC
  • Solubility: Almost insoluble (0.016 g/l) (25 o C),

4-Deschloro-2-chlorobenzoyl Rebapimide Security Information

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4-Deschloro-2-chlorobenzoyl Rebapimide Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Sodium hydroxide Solvents: Water ;  30 °C → 10 °C
1.2 Solvents: Acetone ;  0 - 10 °C; 30 min, 0 - 10 °C
1.3 Reagents: Hydrochloric acid Solvents: Water ;  30 min, pH 1 - 3, 20 - 30 °C
1.4 Solvents: Dimethyl sulfoxide ,  Water
Reference
Magic bullet! Rebamipide, a superior anti-ulcer and ophthalmic drug and its large-scale synthesis in a single organic solvent via process intensification using Krapcho decarboxylation
Babu, Prashanth Kumar; Bodireddy, Mohan Reddy; Puttaraju, Reshma Choudlu; Vagare, Dnyaneshwar; Nimmakayala, Raghu; et al, Organic Process Research & Development, 2018, 22(7), 773-779

Production Method 2

Reaction Conditions
1.1 Reagents: Potassium carbonate Solvents: Ethanol ,  Acetone
Reference
Studies on 2(1H)-quinolinone derivatives as gastric antiulcer active agents. 2-(4-Chlorobenzoylamino)-3-[2(1H)-quinolinon-4-yl]propionic acid and related compounds
Uchida, Minoru; Tabusa, Fujio; Komatsu, Makoto; Morita, Seiji; Kanbe, Toshimi; et al, Chemical & Pharmaceutical Bulletin, 1985, 33(9), 3775-86

4-Deschloro-2-chlorobenzoyl Rebapimide Raw materials

4-Deschloro-2-chlorobenzoyl Rebapimide Preparation Products

4-Deschloro-2-chlorobenzoyl Rebapimide Related Literature

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