Indole-4-boronic acid

• CAS: 220465-43-0
• Catalog Number: ACM220465430
• Category: Boronic Acids
• Molecular Weight: 160.97
• Molecular Formula: C8H8BNO2

Custom Q&A

What is the molecular formula of Indole-4-boronic acid?

The molecular formula of Indole-4-boronic acid is C8H8BNO2.

What is the molecular weight of Indole-4-boronic acid?

The molecular weight of Indole-4-boronic acid is 160.97 g/mol.

What is the IUPAC name of Indole-4-boronic acid?

The IUPAC name of Indole-4-boronic acid is 1H-indol-4-ylboronic acid.

What is the InChI of Indole-4-boronic acid?

The InChI of Indole-4-boronic acid is InChI=1S/C8H8BNO2/c11-9(12)7-2-1-3-8-6(7)4-5-10-8/h1-5,10-12H.

What is the InChIKey of Indole-4-boronic acid?

The InChIKey of Indole-4-boronic acid is USJUQEVUEBCLLR-UHFFFAOYSA-N.

What is the canonical SMILES of Indole-4-boronic acid?

The canonical SMILES of Indole-4-boronic acid is B(C1=C2C=CNC2=CC=C1)(O)O.

What is the CAS number of Indole-4-boronic acid?

The CAS number of Indole-4-boronic acid is 220465-43-0.

What is the EC number of Indole-4-boronic acid?

The EC number of Indole-4-boronic acid is 640-120-6.

What is the DSSTox Substance ID of Indole-4-boronic acid?

The DSSTox Substance ID of Indole-4-boronic acid is DTXSID90376786.

Is Indole-4-boronic acid a canonicalized compound?

Yes, Indole-4-boronic acid is a canonicalized compound.

Synthetic Use

Upstream Synthesis Route 1

• 52488-36-5

• 220465-43-0

Reference: [1] Journal of Organic Chemistry, 1999, vol. 64, # 4, p. 1372 - 1374
[2] Organic Letters, 2004, vol. 6, # 1, p. 3 - 5
[3] Patent: WO2009/73777, 2009, A1, . Location in patent: Page/Page column 195-196

Upstream Synthesis Route 2

• 121-43-7

• 220465-43-0

Reference: [1] Patent: US2005/245524, 2005, A1, . Location in patent: Page/Page column 74

Upstream Synthesis Route 3

• 52488-36-5

• 220465-43-0

Reference: [1]Doll
[Journal of Organic Chemistry, 1999, vol. 64, # 4, p. 1372 - 1374]
[2]Hendrickson, James B.; Wang, Jian
[Organic Letters, 2004, vol. 6, # 1, p. 3 - 5]
[3]Current Patent Assignee: MERCK & CO INC - WO2009/73777, 2009, A1
Location in patent: Page/Page column 195-196

Downstream Synthesis Route 1

• 220465-43-0

• 387-43-9

Reference: [1] Chemistry - A European Journal, 2017, vol. 23, # 14, p. 3251 - 3256

Downstream Synthesis Route 2

• 64-17-5
• 220465-43-0
• 106014-21-5

• 653573-24-1

Reference: [1]Organic Letters,2004,vol. 6,p. 3 - 5

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