Cas no 850568-55-7 ([4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine;hydrochloride)

[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine;hydrochloride structure
850568-55-7 structure
Product Name:[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine;hydrochloride
CAS No:850568-55-7
MF:C13H21BClNO2
MW:269.5753428936
MDL:MFCD06213229
CID:716962
PubChem ID:16427088
Update Time:2024-12-09

[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine;hydrochloride Chemical and Physical Properties

Names and Identifiers

    • (4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanamine hydrochloride
    • 4-(Aminomethyl)benzeneboronic acid pinacol ester hydrochloride
    • 4-AMINOMETHYLPHENYLBORONIC ACID, PINACOL ESTER, HCL
    • Benzenemethanamine,4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, hydrochloride (1:1)
    • (4-AMINOMETHYLPHENYL)BORONIC ACID, PINACOL ESTER HYDROCHLORIDE
    • [4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanaminium chloride
    • [4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine hydrochloride
    • 4-(AMINOMETHYL)PHENYLBORONIC ACID PINACOL ESTER HCI
    • 4-(Aminomethyl)phenylboronic acid pinacol ester hydrochloride
    • [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine;hydrochloride
    • Benzenemethanamine, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, hydrochloride (9CI)
    • 1-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine hydrochloride
    • [4-(Aminomethyl)phenyl]boronic acid pinacol ester hydrochloride
    • 4-(Aminomethyl)phenylboronic acid pinacol ester hydrochloride, 97%
    • AKOS015911422
    • CS-0174692
    • 4-Aminomethylohenylboronic acid pinacl ester hydrochloride
    • (4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanaminehydrochloride
    • KPECMJIHZZWTJN-UHFFFAOYSA-N
    • 1-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine--hydrogen chloride (1/1)
    • DTXSID00930136
    • EN300-1698805
    • MFCD02179455
    • 4-Aminomethylohenylboronic acid pinacl ester HCl
    • 4-Aminomethylphenylboronic acid pinacol ester HCl
    • (4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)METHANAMINE HCL
    • Z3217366816
    • 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-benzylamine hydrochloride
    • 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzylamine hydrochloride
    • J-514434
    • [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine hydrochloride
    • 4-Aminomethylphenylboronic acid, pinacol ester hydrochloride
    • 4-Aminomethylphenylboronic acid pinacol ester hydrochloride
    • AB11166
    • Benzenemethanamine,4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
    • AS-2563
    • 850568-55-7
    • MDL： MFCD06213229
    • Inchi： 1S/C13H20BNO2.ClH/c1-12(2)13(3,4)17-14(16-12)11-7-5-10(9-15)6-8-11;/h5-8H,9,15H2,1-4H3;1H
    • InChI Key： KPECMJIHZZWTJN-UHFFFAOYSA-N
    • SMILES： Cl.O1C(C)(C)C(C)(C)OB1C1C=CC(CN)=CC=1

Computed Properties

  • Exact Mass: 269.13500
  • Monoisotopic Mass: 269.1353868g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 2
  • Complexity: 257
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 44.5?2

Experimental Properties

  • Melting Point: 254.1-262.7?°C
  • PSA: 44.48000
  • LogP: 2.94680

[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine;hydrochloride Security Information

[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine;hydrochloride 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%

[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine;hydrochloride Pricemore >>

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[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine;hydrochloride Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Hydrogen ,  Ammonia Catalysts: Cobalt phosphide (Co2P) Solvents: Water ;  10 h, 5 bar, 80 °C
1.2 Reagents: Hydrochloric acid Solvents: 1,4-Dioxane
Reference
Single-Crystal Cobalt Phosphide Nanorods as a High-Performance Catalyst for Reductive Amination of Carbonyl Compounds
Sheng, Min; Fujita, Shu; Yamaguchi, Sho ; Yamasaki, Jun; Nakajima, Kiyotaka ; et al, JACS Au, 2021, 1(4), 501-507

Production Method 2

Reaction Conditions
1.1 Reagents: Hydrogen ,  Ammonia Catalysts: 2365462-76-4 (γ-Al2O3 supported) Solvents: Water ;  20 h, 80 °C
1.2 Reagents: Hydrochloric acid Solvents: Diethyl ether
Reference
General synthesis of primary amines via reductive amination employing a reusable nickel catalyst
Hahn, G.; Kunnas, P.; de Jonge, N. ; Kempe, R., Nature Catalysis, 2019, 2(1), 71-77

Production Method 3

Reaction Conditions
1.1 Catalysts: Nickel tetrafluoroborate ,  Triphos Solvents: 2,2,2-Trifluoroethanol ;  15 min, rt
1.2 Reagents: Hydrogen ,  Ammonia ;  24 h, 40 bar, 100 °C; 100 °C → rt
1.3 Reagents: Hydrochloric acid Solvents: Diethyl ether ,  Methanol ;  4 - 5 h, rt
Reference
General and selective synthesis of primary amines using Ni-based homogeneous catalysts
Murugesan, Kathiravan; Wei, Zhihong; Chandrashekhar, Vishwas G.; Jiao, Haijun; Beller, Matthias; et al, Chemical Science, 2020, 11(17), 4332-4339

Production Method 4

Reaction Conditions
1.1 Catalysts: Triphos ,  Borate(1-), tetrafluoro-, cobalt(2+) (2:1) Solvents: 2,2,2-Trifluoroethanol ;  15 min, rt
1.2 Reagents: Hydrogen ,  Ammonia ;  24 h, 40 bar, 100 °C
1.3 Reagents: Hydrochloric acid Solvents: Methanol ;  4 - 5 h, rt
Reference
Homogeneous cobalt-catalyzed reductive amination for synthesis of functionalized primary amines
Murugesan, Kathiravan; Wei, Zhihong; Chandrashekhar, Vishwas G.; Neumann, Helfried; Spannenberg, Anke; et al, Nature Communications, 2019, 10(1), 1-9

Production Method 5

Reaction Conditions
1.1 Reagents: Hydrogen ,  Ammonia Catalysts: Iron Solvents: Water ;  20 h, 6.5 MPa, 120 °C
1.2 Reagents: Hydrochloric acid Solvents: Diethyl ether
Reference
The Synthesis of Primary Amines through Reductive Amination Employing an Iron Catalyst
Baeumler, Christoph; Bauer, Christof; Kempe, Rhett, ChemSusChem, 2020, 13(12), 3110-3114

[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine;hydrochloride Raw materials

[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine;hydrochloride Preparation Products

[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine;hydrochloride Related Literature

Related Categories

850568-55-7 ([4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine;hydrochloride) Related Products

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