Cas no 932702-23-3 (6-Amino-benzodisoxazole-3-carboxylic Acid ethyl ester)

6-Amino-benzodisoxazole-3-carboxylic Acid ethyl ester structure
932702-23-3 structure
Product Name:6-Amino-benzodisoxazole-3-carboxylic Acid ethyl ester
CAS No:932702-23-3
MF:C10H10N2O3
MW:206.198002338409
MDL:MFCD11559046
CID:69551
PubChem ID:57355978
Update Time:2024-10-26

6-Amino-benzodisoxazole-3-carboxylic Acid ethyl ester Chemical and Physical Properties

Names and Identifiers

    • Ethyl 6-aminobenzo[d]isoxazole-3-carboxylate
    • 6-Amino-1,2-benzisoxazole-3-carboxylic acid ethyl ester
    • ethyl 6-amino-1,2-benzoxazole-3-carboxylate
    • ETHYL 6-AMINOBENZO(D)ISOXAZOLE-3-CARBOXYLATE
    • Ethyl 6-amino-1,2-benzisoxazole-3-carboxylate (ACI)
    • 6-Amino-benzo[d]isoxazole-3-carboxylic acid ethyl ester
    • SCHEMBL492601
    • DTXSID00723363
    • Ethyl6-aminobenzo[d]isoxazole-3-carboxylate
    • 6-Aminobenzisoxazole-3-carboxylic acid ethyl ester
    • DB-351620
    • ABHHOWURTXVLBH-UHFFFAOYSA-N
    • 932702-23-3
    • SB40027
    • CS-0340058
    • 6-Amino-benzodisoxazole-3-carboxylic Acid ethyl ester
    • MDL: MFCD11559046
    • Inchi: 1S/C10H10N2O3/c1-2-14-10(13)9-7-4-3-6(11)5-8(7)15-12-9/h3-5H,2,11H2,1H3
    • InChI Key: ABHHOWURTXVLBH-UHFFFAOYSA-N
    • SMILES: O=C(C1C2C(=CC(=CC=2)N)ON=1)OCC

Computed Properties

  • Exact Mass: 206.06900
  • Monoisotopic Mass: 206.06914219g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 247
  • 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
  • XLogP3: 1.6
  • Topological Polar Surface Area: 78.4?2

Experimental Properties

  • Density: 1.319
  • Boiling Point: 385.7 °C at 760 mmHg
  • Flash Point: 187.1 °C
  • Refractive Index: 1.623
  • PSA: 78.35000
  • LogP: 2.16790

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6-Amino-benzodisoxazole-3-carboxylic Acid ethyl ester Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Iron ,  Ammonium chloride Solvents: Ethanol ,  Water ;  2 h, reflux
Reference
Preparation of azabicyclic derivatives of indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, pyrazolopyridines, isothiazolopyridines for therapeutic use as α7-nACh receptor activators
, World Intellectual Property Organization, , ,

6-Amino-benzodisoxazole-3-carboxylic Acid ethyl ester Raw materials

6-Amino-benzodisoxazole-3-carboxylic Acid ethyl ester Preparation Products

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