4-Isopropylphenylboronic acid

• CAS: 16152-51-5
• Catalog Number: ACM16152515
• Category: Boronic Acids
• Molecular Weight: 164.01
• Molecular Formula: C₉H₁₃BO₂
• Synonyms: RARECHEM AH PB 0150;P-ISOPROPYLPHENYLBORONIC ACID;4-CUMYLBORONIC ACID;4-ISOPROPYLPHENYLBORONIC ACID;4-ISOPROPYLBENZENEBORONIC ACID;AKOS BRN-0071;4-Cumylboronic acid~4-Isopropylphenylboronic acid;4-Isopropylphebylboronic acid
• IUPAC Name: (4-propan-2-ylphenyl)boronic acid
• Canonical SMILES: B(C1=CC=C(C=C1)C(C)C)(O)O
• InChI Key: IAEUFBDMVKQCLU-UHFFFAOYSA-N
• Boiling Point: 285.9ºC at 760 mmHg
• Melting Point: 110-112ºC
• Flash Point: 126.7ºC
• Density: 1.04g/cm³
• Exact Mass: 164.10100
• Hazard Statements: Xi: Irritant
• H-Bond Acceptor: 2
• H-Bond Donor: 2
• Safety Description: S26-S36

Custom Q&A

What is the molecular formula of 4-Isopropylphenylboronic acid?

The molecular formula is C9H13BO2.

What is the molecular weight of 4-Isopropylphenylboronic acid?

The molecular weight is 164.01 g/mol.

What is the IUPAC name of 4-Isopropylphenylboronic acid?

The IUPAC name is (4-propan-2-ylphenyl)boronic acid.

What is the InChI of 4-Isopropylphenylboronic acid?

The InChI is InChI=1S/C9H13BO2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3-7,11-12H,1-2H3.

What is the InChIKey of 4-Isopropylphenylboronic acid?

The InChIKey is IAEUFBDMVKQCLU-UHFFFAOYSA-N.

What is the canonical SMILES of 4-Isopropylphenylboronic acid?

The canonical SMILES is B(C1=CC=C(C=C1)C(C)C)(O)O.

What is the CAS number of 4-Isopropylphenylboronic acid?

The CAS number is 16152-51-5.

What is the European Community (EC) number of 4-Isopropylphenylboronic acid?

The European Community (EC) number is 678-567-4.

What is the Hydrogen Bond Donor Count of 4-Isopropylphenylboronic acid?

The Hydrogen Bond Donor Count is 2.

Is 4-Isopropylphenylboronic acid a canonicalized compound?

Yes, it is a canonicalized compound according to PubChem.

Synthetic Use

Upstream Synthesis Route 1

• 99-88-7
• 73183-34-3

• 16152-51-5

Reference: [1] Patent: WO2015/105786, 2015, A1, . Location in patent: Page/Page column 13

Upstream Synthesis Route 2

• 121-43-7
• 586-61-8

• 16152-51-5

Reference: [1] ACS Medicinal Chemistry Letters, 2013, vol. 4, # 6, p. 514 - 516

Upstream Synthesis Route 3

• 121-43-7
• 586-61-8
• 153624-04-5

• 16152-51-5

Reference: [1] Patent: US5514696, 1996, A,

Downstream Synthesis Route 1

• 621-38-5
• 16152-51-5

• 916762-56-6

Reference: [1]Patent: EP1908752,2008,A1 .Location in patent: Page/Page column 62

Downstream Synthesis Route 2

• 625-92-3
• 16152-51-5

• 884656-88-6

Reference: [1]Current Patent Assignee: PTC THERAPEUTICS INC - WO2006/44505, 2006, A2 Location in patent: Page/Page column 101

* For details of the synthesis route, please refer to the original source to ensure accuracy.