Cas no 848357-29-9 (5-acetyl-2-borono-1H-indole-1-carboxylic acid-1-(1,1-dimethylethyl) ester)

5-acetyl-2-borono-1H-indole-1-carboxylic acid-1-(1,1-dimethylethyl) ester is a specialized organic compound with significant synthetic utility. It serves as a valuable intermediate in the synthesis of biologically active molecules, offering high purity and structural integrity. This compound's unique boronic acid functionality facilitates efficient cross-coupling reactions, enhancing its versatility in organic synthesis.
5-acetyl-2-borono-1H-indole-1-carboxylic acid-1-(1,1-dimethylethyl) ester structure
848357-29-9 structure
Product Name:5-acetyl-2-borono-1H-indole-1-carboxylic acid-1-(1,1-dimethylethyl) ester
CAS No:848357-29-9
MF:C15H18BNO5
MW:303.118124485016
CID:716533
Update Time:2026-04-29

5-acetyl-2-borono-1H-indole-1-carboxylic acid-1-(1,1-dimethylethyl) ester Chemical and Physical Properties

Names and Identifiers

    • 1H-Indole-1-carboxylicacid, 5-acetyl-2-borono-, 1-(1,1-dimethylethyl) ester (9CI)
    • 1H-Indole-1-carboxylic acid, 5-acetyl-2-borono-, 1-(1,1- dimethylethyl) ester
    • 5-acetyl-2-borono-1H-indole-1-carboxylic acid-1-(1,1-dimethylethyl) ester
    • Inchi: InChI=1S/C15H18BNO5/c1-9(18)10-5-6-12-11(7-10)8-13(16(20)21)17(12)14(19)22-15(2,3)4/h5-8,20-21H,1-4H3
    • InChI Key: JNZXANWFJBJUNO-UHFFFAOYSA-N
    • SMILES: CC(=O)C1=CC2=C(C=C1)N(C(=C2)B(O)O)C(=O)OC(C)(C)C

Computed Properties

  • Exact Mass: 303.12800
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 5

Experimental Properties

  • PSA: 88.76000
  • LogP: 1.30690

5-acetyl-2-borono-1H-indole-1-carboxylic acid-1-(1,1-dimethylethyl) ester Pricemore >>

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