Cas no 832114-08-6 (2-Dimethylaminophenylboronic acid, pinacol ester)

2-Dimethylaminophenylboronic acid, pinacol ester structure
832114-08-6 structure
Product Name:2-Dimethylaminophenylboronic acid, pinacol ester
CAS No:832114-08-6
MF:C14H22BNO2
MW:247.14098405838
MDL:MFCD05864304
CID:720790
PubChem ID:2758658
Update Time:2024-10-27

2-Dimethylaminophenylboronic acid, pinacol ester Chemical and Physical Properties

Names and Identifiers

    • N,N-Dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
    • 2-(N,N-DIMETHYLAMINO)PHENYLBORONIC ACID, PINACOL ESTER
    • 2-Dimethylaminophenylboronic acid, pinacol ester
    • Benzenamine,N,N-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
    • 2-(Dimethylamino)phenylboronic acid pinacol ester
    • dimethyl[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]amine
    • ZXBA000205
    • KM2159
    • AB22752
    • FCH2717382
    • OR360023
    • BC000554
    • AX
    • N,N-Dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenamine (ACI)
    • 2-(2-Dimethylaminophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
    • H10187
    • AKOS015960104
    • EN300-1674552
    • 2-(Dimethylamino)phenylboronic acid pinacol ester, 97%
    • Dimethyl[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan -2-yl)phenyl]amine
    • DS-17408
    • 832114-08-6
    • DB-056696
    • SCHEMBL12538101
    • CS-W000976
    • N,N-dimethyl-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
    • 2-Dimethylaminophenylboronic acid pinacol ester
    • DTXSID00374435
    • MDL: MFCD05864304
    • Inchi: 1S/C14H22BNO2/c1-13(2)14(3,4)18-15(17-13)11-9-7-8-10-12(11)16(5)6/h7-10H,1-6H3
    • InChI Key: MHFTXKKNHASNEZ-UHFFFAOYSA-N
    • SMILES: O1C(C)(C)C(C)(C)OB1C1C(N(C)C)=CC=CC=1

Computed Properties

  • Exact Mass: 247.17400
  • Monoisotopic Mass: 247.1743591g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 2
  • Complexity: 288
  • 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: 21.7

Experimental Properties

  • Melting Point: 50-54?°C
  • Flash Point: Degrees Fahrenheit:>230°F
    Degrees Celsius:>110°C
  • PSA: 21.70000
  • LogP: 2.05180

2-Dimethylaminophenylboronic acid, pinacol ester Security Information

  • Symbol: GHS07
  • Signal Word:Warning
  • Hazard Statement: H315-H319-H335
  • Warning Statement: P261-P305+P351+P338
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 36/37/38
  • Safety Instruction: 26-36/37
  • Hazardous Material Identification: Xi

2-Dimethylaminophenylboronic acid, pinacol ester Customs Data

  • HS CODE:2934999090
  • Customs Data:

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. 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

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

2-Dimethylaminophenylboronic acid, pinacol ester Pricemore >>

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2-Dimethylaminophenylboronic acid, pinacol ester Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Sulfuric acid magnesium salt (1:1) Solvents: Dichloromethane ;  3 h, rt
Reference
Stabilization of zwitterionic aryltrifluoroborates against hydrolysis
Wade, Casey R.; et al, Chemical Communications (Cambridge, 2010, 46(34), 6380-6381

Production Method 2

Reaction Conditions
1.1 Reagents: Butyllithium ,  1,3-Propanediamine Solvents: Hexane ;  0 °C; 20 h, rt
1.2 Solvents: Tetrahydrofuran ;  15 min, -78 °C; 1 h, rt
1.3 Reagents: Chlorotrimethylsilane ;  2 h, rt
Reference
ortho-Dialkylamino arylboranes as efficient reagents for difluorocarbene trapping
Ilin, Egor A.; et al, Chemical Communications (Cambridge, 2020, 56(52), 7140-7142

Production Method 3

Reaction Conditions
1.1 Reagents: Potassium acetate Catalysts: Palladium diacetate ,  9-[1,1′-Biphenyl]-2-yl-9-phosphabicyclo[3.3.1]nonane Solvents: 1,4-Dioxane ;  24 h, 80 °C
Reference
Efficient system for facile access to ortho-substituted aryl boronates through palladium-catalysed borylation
Lamola, Jairus L. ; et al, Tetrahedron Letters, 2023, 120,

2-Dimethylaminophenylboronic acid, pinacol ester Raw materials

2-Dimethylaminophenylboronic acid, pinacol ester Preparation Products

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