Cas no 852110-33-9 (4,4,5,5-tetramethyl-2-2-(propan-2-yl)phenyl-1,3,2-dioxaborolane)

4,4,5,5-tetramethyl-2-2-(propan-2-yl)phenyl-1,3,2-dioxaborolane structure
852110-33-9 structure
Product Name:4,4,5,5-tetramethyl-2-2-(propan-2-yl)phenyl-1,3,2-dioxaborolane
CAS No:852110-33-9
MF:C15H23BO2
MW:246.152924776077
MDL:MFCD10698490
CID:854907
PubChem ID:68967074
Update Time:2024-10-26

4,4,5,5-tetramethyl-2-2-(propan-2-yl)phenyl-1,3,2-dioxaborolane Chemical and Physical Properties

Names and Identifiers

    • 2-(2-Isopropylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
    • 4,4,5,5-tetramethyl-2-(2-propan-2-ylphenyl)-1,3,2-dioxaborolane
    • 4,4,5,5-tetramethyl-2-2-(propan-2-yl)phenyl-1,3,2-dioxaborolane
    • 4,4,5,5-Tetramethyl-2-[2-(1-methylethyl)phenyl]-1,3,2-dioxaborolane (ACI)
    • AB62226
    • 2-Isopropylphenylboronic Acid Pinacol Ester
    • D95813
    • SCHEMBL4232484
    • MFCD10698490
    • AKOS016000896
    • 2-Isopropylbenzene-1-boronic Acid Pinacol Ester
    • 4,4,5,5-TETRAMETHYL-2-[2-(1-METHYLETHYL)PHENYL]-1,3,2-DIOXABOROLANE
    • HKCNIDDNQNFPLW-UHFFFAOYSA-N
    • CS-0189174
    • AS-75904
    • DTXSID70739390
    • 852110-33-9
    • EN300-1425712
    • SY077753
    • Z1336747706
    • 4,4,5,5-TETRAMETHYL-2-[2-(PROPAN-2-YL)PHENYL]-1,3,2-DIOXABOROLANE
    • 2-Isopropylphenyboronic acid pinacol ester
    • MDL: MFCD10698490
    • Inchi: 1S/C15H23BO2/c1-11(2)12-9-7-8-10-13(12)16-17-14(3,4)15(5,6)18-16/h7-11H,1-6H3
    • InChI Key: HKCNIDDNQNFPLW-UHFFFAOYSA-N
    • SMILES: O1C(C)(C)C(C)(C)OB1C1C(C(C)C)=CC=CC=1

Computed Properties

  • Exact Mass: 246.1791101g/mol
  • Monoisotopic Mass: 246.1791101g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 2
  • Complexity: 283
  • 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: 18.5?2

4,4,5,5-tetramethyl-2-2-(propan-2-yl)phenyl-1,3,2-dioxaborolane Customs Data

  • HS CODE:29420000

4,4,5,5-tetramethyl-2-2-(propan-2-yl)phenyl-1,3,2-dioxaborolane Pricemore >>

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4,4,5,5-tetramethyl-2-2-(propan-2-yl)phenyl-1,3,2-dioxaborolane Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Sodium fluoride ,  Proton sponge Catalysts: (SP-4-2)-Chlorotris(triphenylphosphine)rhodium ,  Methanaminium, N-[(dimethylamino)fluoromethylene]-N-methyl-, hexafluorophosphate… Solvents: Toluene ;  24 h, 140 °C
Reference
Rh-Catalyzed Direct Decarbonylative Borylation of Carboxylic Acids
Yin, Chang; Liao, Yanjing; He, Bangyue; Li, Hongyi; Su, Weiping, Chemistry - A European Journal, 2023, 29(29),

Production Method 2

Reaction Conditions
1.1 Solvents: Diethyl ether ;  18 h, rt
Reference
Hydrogenation of (Hetero)aryl Boronate Esters with a Cyclic (Alkyl)(amino)carbene-Rhodium Complex: Direct Access to cis-Substituted Borylated Cycloalkanes and Saturated Heterocycles
Ling, Liang; He, Yuan; Zhang, Xue; Luo, Meiming; Zeng, Xiaoming, Angewandte Chemie, 2019, 58(20), 6554-6558

Production Method 3

Reaction Conditions
1.1 Reagents: tert-Butyl nitrite Solvents: Acetonitrile
Reference
Direct synthesis of arylboronic pinacol esters from arylamines
Qiu, Di; Zhang, Yan; Wang, Jianbo, Organic Chemistry Frontiers, 2014, 1(4), 422-425

Production Method 4

Reaction Conditions
1.1 Reagents: tert-Butyl nitrite Solvents: Acetonitrile ;  2 h, 80 °C
Reference
Synthesis of Pinacol Arylboronates from Aromatic Amines: A Metal-Free Transformation
Qiu, Di; Jin, Liang; Zheng, Zhitong; Meng, He; Mo, Fanyang; et al, Journal of Organic Chemistry, 2013, 78(5), 1923-1933

4,4,5,5-tetramethyl-2-2-(propan-2-yl)phenyl-1,3,2-dioxaborolane Raw materials

4,4,5,5-tetramethyl-2-2-(propan-2-yl)phenyl-1,3,2-dioxaborolane Preparation Products

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