Cas no 89787-12-2 (2-Isopropylbenzeneboronic acid)

2-Isopropylbenzeneboronic acid is a boronic acid derivative featuring an isopropyl substituent on the aromatic ring. This compound is widely utilized in Suzuki-Miyaura cross-coupling reactions, a key method for forming carbon-carbon bonds in organic synthesis. Its stability and reactivity make it a valuable building block for pharmaceuticals, agrochemicals, and advanced materials. The isopropyl group enhances steric and electronic properties, improving selectivity in coupling reactions. The product is typically supplied as a white to off-white crystalline solid with high purity, ensuring consistent performance in synthetic applications. Proper storage under inert conditions is recommended to maintain stability.
2-Isopropylbenzeneboronic acid structure
89787-12-2 structure
Product Name:2-Isopropylbenzeneboronic acid
CAS No:89787-12-2
MF:C9H13BO2
MW:164.009322881699
MDL:MFCD03411937
CID:61311
PubChem ID:2773477
Update Time:2025-06-07

2-Isopropylbenzeneboronic acid Chemical and Physical Properties

Names and Identifiers

    • 2-Isopropylphenylboronic acid
    • 2-Isopropylbenzeneboronic acid
    • 2-Cumylboronic acid~2-Isopropylphenylboronic acid
    • (2-Isopropylphenyl)boronic acid
    • (2-propan-2-ylphenyl)boronic acid
    • o-Isopropylphenylboronic Acid
    • 2-Isopropylphenyboronic acid
    • 2-Isopropylphebylboronic acid
    • 2-Isopropylphenboronic acid
    • 2-CUMYLBORONIC ACID
    • BORONIC ACID, [2-(1-METHYLETHYL)PHENYL]-
    • [2-(PROPAN-2-YL)PHENYL]BORONIC ACID
    • PubChem9514
    • 2-Isopropylbenzeneboronicacid
    • 2-Isopropylphenylboranic acid
    • 2-isopropylphenyl boronic acid
    • 2-isopr
    • B-[2-(1-Methylethyl)phenyl]boronic acid (ACI)
    • Boronic acid, [2-(1-methylethyl)phenyl]- (9CI)
    • [2-(1-Methylethyl)phenyl]boronic acid
    • o-Cumylboronic acid
    • 2-Isopropylphenylboronic acid, AldrichCPR
    • EN300-107504
    • GS-6638
    • AKOS000285063
    • KTZUVUWIBZMHMC-UHFFFAOYSA-N
    • HY-W003050
    • AB14291
    • SY026620
    • Z381540944
    • MFCD03411937
    • DTXSID10378484
    • CS-W003050
    • J-509751
    • 2-IsopropylphenylboronicAcid
    • AM804517
    • A843312
    • C9H13BO2
    • 2-isopropyl phenylboronic acid
    • 2-isopropylbenzene boronic acid
    • FT-0601802
    • 89787-12-2
    • SCHEMBL21270
    • DB-010456
    • MDL: MFCD03411937
    • Inchi: 1S/C9H13BO2/c1-7(2)8-5-3-4-6-9(8)10(11)12/h3-7,11-12H,1-2H3
    • InChI Key: KTZUVUWIBZMHMC-UHFFFAOYSA-N
    • SMILES: OB(C1C=CC=CC=1C(C)C)O
    • BRN: 3090298

Computed Properties

  • Exact Mass: 164.10100
  • Monoisotopic Mass: 164.101
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 137
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 40.5

Experimental Properties

  • Color/Form: White powder
  • Density: 1.04
  • Melting Point: 85-86°C
  • Boiling Point: 297.2 °C at 760 mmHg
  • Flash Point: 133.5 °C
  • Refractive Index: 1.513
  • PSA: 40.46000
  • LogP: 0.48980
  • Solubility: Not determined

2-Isopropylbenzeneboronic acid Security Information

2-Isopropylbenzeneboronic 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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2-Isopropylbenzeneboronic acid Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: tert-Butyllithium Solvents: Pentane ,  Tetrahydrofuran ;  2 h, -78 °C
1.2 Reagents: Triisopropyl borate Solvents: Tetrahydrofuran ;  -78 °C; -78 °C → rt; overnight, rt
1.3 Reagents: Hydrochloric acid Solvents: Water ;  30 min, rt
1.4 Reagents: Sodium hydroxide Solvents: Ethanol ,  Water ;  30 min, rt
1.5 Reagents: Hydrochloric acid Solvents: Water ;  acidified, rt
Reference
9,10-diarylanthracenes as molecular switches: syntheses, properties, isomerizations and their reactions with singlet oxygen
Zehm, Daniel; Fudickar, Werner; Hans, Melanie; Schilde, Uwe; Kelling, Alexandra; et al, Chemistry - A European Journal, 2008, 14(36), 11429-11441

Production Method 2

Reaction Conditions
1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran ,  Hexane ;  15 min, -78 °C
1.2 Reagents: Triisopropyl borate Solvents: Tetrahydrofuran ;  -78 °C; 1 h, -78 °C; 1 h, -78 °C → rt
1.3 Reagents: Hydrochloric acid Solvents: Water
Reference
Group 4 Dimethylsilylenebisamido Complexes Bearing the 6-[2-(Diethylboryl)phenyl]pyrid-2-yl Motif: Synthesis and Use in Tandem Ring-Opening Metathesis/Vinyl-Insertion Copolymerization of Cyclic Olefins with Ethylene
Zou, Yuanlin; Wang, Dongren; Wurst, Klaus; Kuehnel, Christa; Reinhardt, Ingrid; et al, Chemistry - A European Journal, 2011, 17(49), 13832-13846

Production Method 3

Reaction Conditions
1.1 Solvents: Acetonitrile-d3 ,  Water-d2 ;  24 h, rt
Reference
Fast and Tight Boronate Formation for Click Bioorthogonal Conjugation
Akgun, Burcin; Hall, Dennis G., Angewandte Chemie, 2016, 55(12), 3909-3913

Production Method 4

Reaction Conditions
1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran ,  Hexane ;  15 min, -78 °C
1.2 Reagents: Triisopropyl borate Solvents: Tetrahydrofuran ;  -78 °C; 1 h, -78 °C; 1 h, -78 °C → rt
1.3 Reagents: Hydrochloric acid Solvents: Water ;  rt
Reference
Group 4 metal complexes bearing the aminoborane motif: origin of tandem ring-opening metathesis/vinyl-insertion polymerization
Wang, M.; Xu, G.; Wang, D.; Zou, Y.; Frey, W.; et al, Polymer Chemistry, 2015, 6(17), 3290-3304

Production Method 5

Reaction Conditions
1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran ,  Hexane ;  2 h, -78 °C
1.2 Reagents: Triisopropyl borate Solvents: Tetrahydrofuran ;  1 h, -78 °C; 1 h, rt
1.3 Reagents: Hydrochloric acid Solvents: Water ;  rt
Reference
Structure, Conformation, and Dynamic Processes of the Stereolabile Atropisomers of Hindered Terphenyl Hydrocarbons
Lunazzi, Lodovico; Mazzanti, Andrea; Minzoni, Mirko; Anderson, J. Edgar, Organic Letters, 2005, 7(7), 1291-1294

Production Method 6

Reaction Conditions
1.1 Reagents: Carbamide peroxide Solvents: DMSO-d6 ,  Water ,  Water-d2 ;  rt
Reference
Hydrogen Peroxide-Responsive Triggers Based on Borinic Acids: Molecular Insights into the Control of Oxidative Rearrangement
Gatin-Fraudet, Blaise; Pucher, Mathilde; Le Saux, Thomas; Doisneau, Gilles ; Bourdreux, Yann ; et al, Chemistry - A European Journal, 2022, 28(59),

2-Isopropylbenzeneboronic acid Raw materials

2-Isopropylbenzeneboronic acid Preparation Products

2-Isopropylbenzeneboronic acid Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:89787-12-2)2-Isopropylbenzeneboronic acid
Order Number:A843312
Stock Status:in Stock
Quantity:100g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 06:59
Price ($):315.0
Recommended suppliers
Amadis Chemical Company Limited
(CAS:89787-12-2)2-Isopropylbenzeneboronic acid
A843312
Purity:99%
Quantity:100g
Price ($):315.0
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