1-Boc-indole-3-boronic acid pinacol ester

• CAS: 942070-45-3
• Catalog Number: ACM942070453-1
• Category: Other

Custom Q&A

What is the molecular formula of 1-Boc-indole-3-boronic acid pinacol ester?

The molecular formula is C19H26BNO4.

What is the molecular weight of 1-Boc-indole-3-boronic acid pinacol ester?

The molecular weight is 343.2 g/mol.

What is the IUPAC name of 1-Boc-indole-3-boronic acid pinacol ester?

The IUPAC name is tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-1-carboxylate.

What is the InChI code for 1-Boc-indole-3-boronic acid pinacol ester?

The InChI code is InChI=1S/C19H26BNO4/c1-17(2,3)23-16(22)21-12-14(13-10-8-9-11-15(13)21)20-24-18(4,5)19(6,7)25-20/h8-12H,1-7H3.

What is the InChIKey for 1-Boc-indole-3-boronic acid pinacol ester?

The InChIKey is WWMZOMHUEMTTQO-UHFFFAOYSA-N.

What is the canonical SMILES representation of 1-Boc-indole-3-boronic acid pinacol ester?

The canonical SMILES representation is B1(OC(C(O1)(C)C)(C)C)C2=CN(C3=CC=CC=C23)C(=O)OC(C)(C)C.

What is the CAS number of 1-Boc-indole-3-boronic acid pinacol ester?

The CAS number is 942070-45-3.

What is the European Community (EC) number of 1-Boc-indole-3-boronic acid pinacol ester?

The European Community (EC) number is 866-156-4.

What is the DSSTox Substance ID of 1-Boc-indole-3-boronic acid pinacol ester?

The DSSTox Substance ID is DTXSID80677971.

Is 1-Boc-indole-3-boronic acid pinacol ester a canonicalized compound?

Yes, it is canonicalized according to PubChem.

Synthetic Use

Upstream Synthesis Route 1

• 73183-34-3

• 942070-45-3

Reference: [1] Patent: US2011/15232, 2011, A1, . Location in patent: Page/Page column 42-44

Upstream Synthesis Route 2

• 75400-67-8
• 25015-63-8

• 942070-45-3

Reference: [1] Organometallics, 2014, vol. 33, # 13, p. 3514 - 3522
[2] Journal of Organic Chemistry, 2009, vol. 74, # 23, p. 9199 - 9201

Upstream Synthesis Route 3

• 61676-62-8
• 192189-07-4

• 942070-45-3

Reference: [1] Organic Letters, 2013, vol. 15, # 6, p. 1346 - 1349

Upstream Synthesis Route 4

• 75400-67-8
• 25015-63-8

• 942070-45-3

Reference: [1]Organometallics,2014,vol. 33,p. 3514 - 3522
[2]Journal of Organic Chemistry,2009,vol. 74,p. 9199 - 9201

Downstream Synthesis Route 1

• 942070-45-3

• 937366-54-6

Reference: [1]Journal of Organic Chemistry,2009,vol. 74,p. 9199 - 9201

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