Cas no 105688-65-1 (2-bromo-3-(2,4-dibromoanilino)prop-2-enal)

2-bromo-3-(2,4-dibromoanilino)prop-2-enal structure
105688-65-1 structure
Product Name:2-bromo-3-(2,4-dibromoanilino)prop-2-enal
CAS No:105688-65-1
MF:C9H6Br3NO
MW:383.862040042877
CID:1160329
PubChem ID:71333747
Update Time:2025-04-20

2-bromo-3-(2,4-dibromoanilino)prop-2-enal Chemical and Physical Properties

Names and Identifiers

    • 2-bromo-3-(2,4-dibromoanilino)prop-2-enal
    • DTXSID10761953
    • 105688-65-1
    • Inchi： 1S/C9H6Br3NO/c10-6-1-2-9(8(12)3-6)13-4-7(11)5-14/h1-5,13H
    • InChI Key： LIJICEJOIZWSMU-UHFFFAOYSA-N
    • SMILES： BrC1C=C(C=CC=1NC=C(C=O)Br)Br

Computed Properties

  • Exact Mass: 380.79988
  • Monoisotopic Mass: 380.79995g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 232
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • XLogP3: 4.3
  • Topological Polar Surface Area: 29.1?2

Experimental Properties

  • PSA: 29.1
  • LogP: 4.13170

2-bromo-3-(2,4-dibromoanilino)prop-2-enal Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Acetic acid ,  Sodium acetate Solvents: Water
2.1 Reagents: Aluminum bromide
Reference
Preparation of 3-substituted quinolines. II. Preparation and cyclodehydration of α-alkyl- and α-phenyl-β-arylaminoacrolein derivatives
Todoriki, Reiko; et al, Heterocycles, 1986, 24(3), 755-69

Production Method 2

Reaction Conditions
1.1 Reagents: N-Bromosuccinimide Solvents: Chloroform
2.1 Reagents: Acetic acid ,  Sodium acetate Solvents: Water
3.1 Reagents: Aluminum bromide
Reference
Preparation of 3-substituted quinolines. II. Preparation and cyclodehydration of α-alkyl- and α-phenyl-β-arylaminoacrolein derivatives
Todoriki, Reiko; et al, Heterocycles, 1986, 24(3), 755-69

Production Method 3

Reaction Conditions
1.1 Reagents: Aluminum bromide
Reference
Preparation of 3-substituted quinolines. II. Preparation and cyclodehydration of α-alkyl- and α-phenyl-β-arylaminoacrolein derivatives
Todoriki, Reiko; et al, Heterocycles, 1986, 24(3), 755-69

Production Method 4

Reaction Conditions
1.1 Reagents: N-Bromosuccinimide Solvents: Chloroform
2.1 Reagents: Aluminum bromide
Reference
Preparation of 3-substituted quinolines. II. Preparation and cyclodehydration of α-alkyl- and α-phenyl-β-arylaminoacrolein derivatives
Todoriki, Reiko; et al, Heterocycles, 1986, 24(3), 755-69

Production Method 5

Reaction Conditions
1.1 Reagents: Ethanol ,  Water
2.1 Reagents: N-Bromosuccinimide Solvents: Chloroform
3.1 Reagents: Acetic acid ,  Sodium acetate Solvents: Water
4.1 Reagents: Aluminum bromide
Reference
Preparation of 3-substituted quinolines. II. Preparation and cyclodehydration of α-alkyl- and α-phenyl-β-arylaminoacrolein derivatives
Todoriki, Reiko; et al, Heterocycles, 1986, 24(3), 755-69

2-bromo-3-(2,4-dibromoanilino)prop-2-enal Raw materials

2-bromo-3-(2,4-dibromoanilino)prop-2-enal Preparation Products

2-bromo-3-(2,4-dibromoanilino)prop-2-enal Related Literature

105688-65-1 (2-bromo-3-(2,4-dibromoanilino)prop-2-enal) Related Products

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