Cas no 510773-04-3 (3-Amino-5-ethoxycarbonylphenylboronic Acid)

3-Amino-5-ethoxycarbonylphenylboronic Acid is a boronic acid derivative featuring both an amino and an ethoxycarbonyl functional group on the phenyl ring. This compound is valuable in organic synthesis, particularly in Suzuki-Miyaura cross-coupling reactions, where its boronic acid moiety facilitates the formation of carbon-carbon bonds. The presence of the amino group enhances its reactivity and potential for further functionalization, while the ethoxycarbonyl group offers stability and versatility in derivatization. Its well-defined structure makes it suitable for applications in pharmaceutical intermediates, agrochemicals, and materials science. The compound is typically handled under inert conditions to preserve its reactivity and purity.
3-Amino-5-ethoxycarbonylphenylboronic Acid structure
510773-04-3 structure
Product Name:3-Amino-5-ethoxycarbonylphenylboronic Acid
CAS No:510773-04-3
MF:C9H12BNO4
MW:209.006882667542
CID:934700
PubChem ID:44558159
Update Time:2025-06-10

3-Amino-5-ethoxycarbonylphenylboronic Acid Chemical and Physical Properties

Names and Identifiers

    • (3-Amino-5-(ethoxycarbonyl)phenyl)boronic acid
    • (3-amino-5-ethoxycarbonylphenyl)boronic acid
    • Benzoic acid, 3-amino-5-borono-, 1-ethyl ester (9CI)
    • 3-AMINO-5-BORONO-BENZOIC ACID 1-ETHYL ESTER
    • 3-Amino-5-ethoxycarbonylphenylboronic acid
    • I04-0720
    • [3-Amino-5-(ethoxycarbonyl)phenyl]boronic acid
    • G74174
    • SB78263
    • AKOS015892918
    • benzoic acid,3-amino-5-borono-,ethyl ester
    • 3-amino-5-(ethoxycarbonyl)phenylboronic acid
    • SCHEMBL6648304
    • CS-0178071
    • (3-Amino-5-(ethoxycarbonyl)phenyl)boronicacid
    • DB-028341
    • 510773-04-3
    • DTXSID20659377
    • 3-Amino-5-ethoxycarbonylphenylboronic Acid
    • Inchi: 1S/C9H12BNO4/c1-2-15-9(12)6-3-7(10(13)14)5-8(11)4-6/h3-5,13-14H,2,11H2,1H3
    • InChI Key: KOMOLAWDZYJJSX-UHFFFAOYSA-N
    • SMILES: O(CC)C(C1C=C(C=C(B(O)O)C=1)N)=O

Computed Properties

  • Exact Mass: 209.08600
  • Monoisotopic Mass: 209.0859380g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 224
  • 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: 92.8?2

Experimental Properties

  • PSA: 92.78000
  • LogP: -0.29350

3-Amino-5-ethoxycarbonylphenylboronic Acid Customs Data

  • HS CODE:2931900090
  • Customs Data:

    China Customs Code:

    2931900090

    Overview:

    2931900090. Other organic-Inorganic compound. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods). MFN tariff:6.5%. general tariff:30.0%

    Summary:

    2931900090. other organo-inorganic compounds. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:6.5%. General tariff:30.0%

3-Amino-5-ethoxycarbonylphenylboronic Acid Pricemore >>

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