Cas no 913835-67-3 ((1-(tert-Butoxycarbonyl)-6-cyano-1H-indol-2-yl)boronic acid)

(1-(tert-Butoxycarbonyl)-6-cyano-1H-indol-2-yl)boronic acid structure
913835-67-3 structure
Product Name:(1-(tert-Butoxycarbonyl)-6-cyano-1H-indol-2-yl)boronic acid
CAS No:913835-67-3
MF:C14H15BN2O4
MW:286.090903520584
MDL:MFCD08436056
CID:802858
PubChem ID:44119347
Update Time:2024-10-26

(1-(tert-Butoxycarbonyl)-6-cyano-1H-indol-2-yl)boronic acid Chemical and Physical Properties

Names and Identifiers

    • (1-(tert-Butoxycarbonyl)-6-cyano-1H-indol-2-yl)boronic acid
    • 1-Boc-6-cyanoindole-2-boronic acid
    • [6-cyano-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
    • 1H-Indole-1-carboxylic acid, 2-borono-6-cyano-, 1-(1,1-dimethylethyl) ester (9CI)
    • 1-(1,1-Dimethylethyl) 2-borono-6-cyano-1H-indole-1-carboxylate (ACI)
    • (1-(tert-Butoxycarbonyl)-6-cyano-1H-indol-2-yl)boronicacid
    • CS-0002223
    • 1-(TERT-BUTOXYCARBONYL)-6-CYANO-1H-INDOL-2-YLBORONIC ACID
    • 1-Boc-6-cyano-2-indoleboronic acid, AldrichCPR
    • 6-Cyano-1H-indole-2-boronic acid, N-BOC protected
    • AT27049
    • 913835-67-3
    • 1-(tert-Butoxycarbonyl)-6-cyano-1H-indole-2-boronic acid
    • [1-(tert-Butoxycarbonyl)-6-cyano-1H-indol-2-yl]boronic acid
    • J-503654
    • 1H-Indole-1-carboxylicacid,2-borono-6-cyano-,1-(1,1-dimethylethyl)ester(9ci)
    • AKOS015893118
    • 1-tert-Butoxycarbonyl-6-cyanoindole-2-boronic acid
    • MFCD08436056
    • 1-(tert-butoxycarbonyl)-6-cyanoindol-2-ylboronic acid
    • PS-9542
    • 6-CYANO-1H-INDOL-2-YLBORONIC ACID, N-BOC PROTECTED 96
    • SCHEMBL14784326
    • DTXSID20657156
    • 1-Boc-6-cyano-1H-indol-2-boronic Acid
    • MDL: MFCD08436056
    • Inchi: 1S/C14H15BN2O4/c1-14(2,3)21-13(18)17-11-6-9(8-16)4-5-10(11)7-12(17)15(19)20/h4-7,19-20H,1-3H3
    • InChI Key: CZEBTZMIQZVUSE-UHFFFAOYSA-N
    • SMILES: N#CC1C=C2C(C=C(N2C(OC(C)(C)C)=O)B(O)O)=CC=1

Computed Properties

  • Exact Mass: 286.11200
  • Monoisotopic Mass: 286.112
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 4
  • Complexity: 454
  • 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: 95.5A^2

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Melting Point: 219-221
  • Boiling Point: 456.8±55.0 °C at 760 mmHg
  • Flash Point: 230.1±31.5 °C
  • Refractive Index: 1.566
  • PSA: 95.48000
  • LogP: 0.97598
  • Vapor Pressure: 0.0±1.2 mmHg at 25°C

(1-(tert-Butoxycarbonyl)-6-cyano-1H-indol-2-yl)boronic acid Customs Data

  • HS CODE:2933990090
  • Customs Data:

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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(1-(tert-Butoxycarbonyl)-6-cyano-1H-indol-2-yl)boronic acid Production Method

Production Method 1

Reaction Conditions
Reference
Synthesis and antibacterial evaluation of new, unsymmetrical triaryl bis[amidine] compounds
Nguyen, Son T.; et al, Bioorganic & Medicinal Chemistry Letters, 2014, 24(15), 3366-3372

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