3-Quinolineboronic acid

• CAS: 191162-39-7
• Catalog Number: ACM191162397
• Category: Boronic Acids
• Molecular Weight: 172.98g/mol
• Molecular Formula: C9H8BNO2
• IUPAC Name: quinolin-3-ylboronic acid
• Canonical SMILES: B(C1=CC2=CC=CC=C2N=C1)(O)O
• InChI: InChI=1S/C9H8BNO2/c12-10(13)8-5-7-3-1-2-4-9(7)11-6-8/h1-6,12-13H
• InChI Key: YGDICLRMNDWZAK-UHFFFAOYSA-N
• Complexity: 177
• Covalently-Bonded Unit Count: 1
• Exact Mass: 173.064809g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 2
• Heavy Atom Count: 13
• Monoisotopic Mass: 173.064809g/mol
• Rotatable Bond Count: 1

Custom Q&A

What is the PubChem CID of 3-quinolineboronic acid?

PubChem CID 2734663

What is the molecular formula of 3-quinolineboronic acid?

The molecular formula is C9H8BNO2.

What is the molecular weight of 3-quinolineboronic acid?

The molecular weight is 172.98 g/mol.

What is the IUPAC name of 3-quinolineboronic acid?

The IUPAC name is quinolin-3-ylboronic acid.

What is the InChI of 3-quinolineboronic acid?

The InChI is InChI=1S/C9H8BNO2/c12-10(13)8-5-7-3-1-2-4-9(7)11-6-8/h1-6,12-13H.

What is the InChIKey of 3-quinolineboronic acid?

The InChIKey is YGDICLRMNDWZAK-UHFFFAOYSA-N.

What is the canonical SMILES of 3-quinolineboronic acid?

The canonical SMILES is B(C1=CC2=CC=CC=C2N=C1)(O)O.

What is the CAS number of 3-quinolineboronic acid?

The CAS number is 191162-39-7.

What is the EC number of 3-quinolineboronic acid?

The EC number is 640-162-5.

Is 3-quinolineboronic acid a canonicalized compound?

Yes, 3-quinolineboronic acid is canonicalized.

Synthetic Use

Upstream Synthesis Route 1

• 5332-24-1

• 191162-39-7

Reference: [1] Dyes and Pigments, 2013, vol. 99, # 1, p. 105 - 115

Upstream Synthesis Route 2

• 5332-24-1
• 5419-55-6

• 191162-39-7

Reference: [1] Patent: KR2016/52399, 2016, A, . Location in patent: Paragraph 0151-0154

Downstream Synthesis Route 1

• 191162-39-7

• 580-18-7

Reference: [1] Tetrahedron Letters, 2018, vol. 59, # 52, p. 4597 - 4601
[2] Journal of the American Chemical Society, 2018, vol. 140, # 13, p. 4623 - 4631
[3] Organic Letters, 2012, vol. 14, # 13, p. 3494 - 3497
[4] Journal of Medicinal Chemistry, 2014, vol. 57, # 6, p. 2536 - 2548
[5] Advanced Synthesis and Catalysis, 2018, vol. 360, # 10, p. 2013 - 2019

Downstream Synthesis Route 2

• 153034-91-4
• 191162-39-7

• 1206906-05-9

Reference: [1]Daykin, Laura M.; Siddle, Jamie S.; Ankers, Adrian L.; Batsanov, Andrei S.; Bryce, Martin R.
[Tetrahedron, 2010, vol. 66, # 3, p. 668 - 675]

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