N-boc-2-pyrroleboronic acid

• CAS: 135884-31-0
• Catalog Number: ACM135884310
• Category: Boronic Acids
• Molecular Weight: 211.03g/mol
• Molecular Formula: C9H14BNO4
• IUPAC Name: [1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]boronic acid
• Canonical SMILES: B(C1=CC=CN1C(=O)OC(C)(C)C)(O)O
• InChI: InChI=1S/C9H14BNO4/c1-9(2,3)15-8(12)11-6-4-5-7(11)10(13)14/h4-6,13-14H,1-3H3
• InChI Key: ZWGMJLNXIVRFRJ-UHFFFAOYSA-N
• Complexity: 239
• Covalently-Bonded Unit Count: 1
• Exact Mass: 211.101588g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 2
• Heavy Atom Count: 15
• Monoisotopic Mass: 211.101588g/mol
• Rotatable Bond Count: 3

Custom Q&A

What is the molecular formula of N-boc-2-pyrroleboronic acid?

The molecular formula of N-boc-2-pyrroleboronic acid is C9H14BNO4.

What is the molecular weight of N-boc-2-pyrroleboronic acid?

The molecular weight of N-boc-2-pyrroleboronic acid is 211.03 g/mol.

What is the IUPAC name of N-boc-2-pyrroleboronic acid?

The IUPAC name of N-boc-2-pyrroleboronic acid is [1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]boronic acid.

What is the InChI of N-boc-2-pyrroleboronic acid?

The InChI of N-boc-2-pyrroleboronic acid is InChI=1S/C9H14BNO4/c1-9(2,3)15-8(12)11-6-4-5-7(11)10(13)14/h4-6,13-14H,1-3H3.

What is the InChIKey of N-boc-2-pyrroleboronic acid?

The InChIKey of N-boc-2-pyrroleboronic acid is ZWGMJLNXIVRFRJ-UHFFFAOYSA-N.

What is the canonical SMILES of N-boc-2-pyrroleboronic acid?

The canonical SMILES of N-boc-2-pyrroleboronic acid is B(C1=CC=CN1C(=O)OC(C)(C)C)(O)O.

What is the CAS number of N-boc-2-pyrroleboronic acid?

The CAS number of N-boc-2-pyrroleboronic acid is 135884-31-0.

What is the European Community (EC) number of N-boc-2-pyrroleboronic acid?

The European Community (EC) number of N-boc-2-pyrroleboronic acid is 688-503-7.

What is the ChEMBL ID of N-boc-2-pyrroleboronic acid?

The ChEMBL ID of N-boc-2-pyrroleboronic acid is CHEMBL3236896.

What is the compound's hydrogen bond donor count?

The compound's hydrogen bond donor count is 2.

Synthetic Use

Upstream Synthesis Route 1

• 1158984-94-1

• 135884-31-0

Reference: [1] Journal of the American Chemical Society, 2009, vol. 131, p. 6961 - 6963

Upstream Synthesis Route 2

• 5176-27-2

• 135884-31-0

Reference: [1] Chemical Communications, 2008, # 16, p. 1865 - 1867
[2] Journal of Medicinal Chemistry, 2005, vol. 48, # 16, p. 5092 - 5095
[3] Tetrahedron, 2009, vol. 65, # 34, p. 6877 - 6881

Downstream Synthesis Route 1

• 135884-31-0

• 141293-14-3

Reference: [1] Organic Letters, 2012, vol. 14, # 13, p. 3494 - 3497

Downstream Synthesis Route 2

• 21440-97-1
• 135884-31-0

• 304853-96-1

Reference: [1]Patent: US2002/49204,2002,A1

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