Cas no 945756-49-0 (4(tert-Butoxycarbonyl-N-methylamino)-phenylboronic Acid)

4(tert-Butoxycarbonyl-N-methylamino)-phenylboronic Acid structure
945756-49-0 structure
Product Name:4(tert-Butoxycarbonyl-N-methylamino)-phenylboronic Acid
CAS No:945756-49-0
MF:C12H18BNO4
MW:251.086623668671
MDL:MFCD03095105
CID:1001096
PubChem ID:45158885
Update Time:2024-10-25

4(tert-Butoxycarbonyl-N-methylamino)-phenylboronic Acid Chemical and Physical Properties

Names and Identifiers

    • (4-((tert-Butoxycarbonyl)(methyl)amino)phenyl)boronic acid
    • [4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]boronic acid
    • 4-(tert-butoxycarbonyl(methyl)amino)phenylboronic acid
    • 4(tert-Butoxycarbonyl-N-methylamino)-phenylboronic acid
    • 4-(tert-butoxycarbonyl-N-methylamino)phenylboronic acid
    • C-(1,1-Dimethylethyl) N-(4-boronophenyl)-N-methylcarbamate (ACI)
    • [4-[(tert-Butoxycarbonyl)(methyl)amino]phenyl]boronic acid
    • {4-[(tert-Butoxycarbonyl)(methyl)amino]phenyl}boronic acid
    • (4-(Boc-(methyl)amino)phenyl)boronic Acid
    • E82001
    • 4-(tert-Butoxycarbonyl-N-methylamino)phenylboronic acid, AldrichCPR
    • SCHEMBL3794821
    • BS-24540
    • CS-0159867
    • MFCD03095105
    • (4-{[(tert-butoxy)carbonyl](methyl)amino}phenyl)boronic acid
    • AKOS015960283
    • NCGC00249546-01
    • 945756-49-0
    • DB-367095
    • DTXSID70669784
    • IPRHVYYSYKNJDE-UHFFFAOYSA-N
    • VMB75649
    • (4-((tert-Butoxycarbonyl)(methyl)amino)phenyl)boronicacid
    • 4-[(TERT-BUTOXYCARBONYL)(METHYL)AMINO]PHENYLBORONIC ACID
    • 4(tert-Butoxycarbonyl-N-methylamino)-phenylboronic Acid
    • MDL: MFCD03095105
    • Inchi: 1S/C12H18BNO4/c1-12(2,3)18-11(15)14(4)10-7-5-9(6-8-10)13(16)17/h5-8,16-17H,1-4H3
    • InChI Key: IPRHVYYSYKNJDE-UHFFFAOYSA-N
    • SMILES: O=C(N(C)C1C=CC(B(O)O)=CC=1)OC(C)(C)C

Computed Properties

  • Exact Mass: 251.13300
  • Monoisotopic Mass: 251.1328882g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 5
  • Complexity: 282
  • 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: 70?2

Experimental Properties

  • PSA: 70.00000
  • LogP: 0.73770

4(tert-Butoxycarbonyl-N-methylamino)-phenylboronic Acid Security Information

  • Hazard Category Code: 43
  • Safety Instruction: 36/37
  • Hazardous Material Identification: Xi

4(tert-Butoxycarbonyl-N-methylamino)-phenylboronic 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%

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4(tert-Butoxycarbonyl-N-methylamino)-phenylboronic Acid Production Method

Production Method 1

Reaction Conditions
Reference
Discovery and optimization of a highly efficacious class of 5-aryl-2-aminopyridines as FMS-like tyrosine kinase 3 (FLT3) inhibitors
Liu, Gang; Abraham, Sunny; Liu, Xing; Xu, Shimin; Rooks, Allison M.; et al, Bioorganic & Medicinal Chemistry Letters, 2015, 25(17), 3436-3441

4(tert-Butoxycarbonyl-N-methylamino)-phenylboronic Acid Preparation Products

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