1-Boc-indole-5-boronic acid pinacol ester

• CAS: 777061-36-6
• Catalog Number: ACM777061366
• Category: Other
• Molecular Weight: 343.2287
• Molecular Formula: C19H26BNO4
• Synonyms: 640387_ALDRICH, BM245, 1-Boc-indole-5-boronic acid pinacol ester, 1-Boc-5-indoleboronic acid pinacol ester, 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-Boc-indole, 777061-36-6
• IUPAC Name: tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-1-carboxylate
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N(C=C3)C(=O)OC(C)(C)C
• InChI Key: WPSDWNFTICAMNI-UHFFFAOYSA-N
• Boiling Point: 454.6ºC at 760 mmHg
• Melting Point: 131-136ºC(lit.)
• Flash Point: 228.7ºC
• Density: 1.08g/cm³
• Exact Mass: 343.19500
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• MDL Number: MFCD05663895
• Safety Description: 22-24/25
• Size: 50mg,100mg,250mg,500mg,1g,5g
• WGK Germany: 3

Custom Q&A

What is the molecular formula of 1-Boc-indole-5-boronic acid pinacol ester?

The molecular formula of 1-Boc-indole-5-boronic acid pinacol ester is C19H26BNO4.

What is the molecular weight of 1-Boc-indole-5-boronic acid pinacol ester?

The molecular weight of 1-Boc-indole-5-boronic acid pinacol ester is 343.2 g/mol.

What is the IUPAC name of 1-Boc-indole-5-boronic acid pinacol ester?

The IUPAC name of 1-Boc-indole-5-boronic acid pinacol ester is tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-1-carboxylate.

What is the InChI of 1-Boc-indole-5-boronic acid pinacol ester?

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

What is the InChIKey of 1-Boc-indole-5-boronic acid pinacol ester?

The InChIKey of 1-Boc-indole-5-boronic acid pinacol ester is WPSDWNFTICAMNI-UHFFFAOYSA-N.

What is the Canonical SMILES of 1-Boc-indole-5-boronic acid pinacol ester?

The Canonical SMILES of 1-Boc-indole-5-boronic acid pinacol ester is B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N(C=C3)C(=O)OC(C)(C)C.

What is the CAS number of 1-Boc-indole-5-boronic acid pinacol ester?

The CAS number of 1-Boc-indole-5-boronic acid pinacol ester is 777061-36-6.

What is the European Community (EC) number of 1-Boc-indole-5-boronic acid pinacol ester?

The European Community (EC) number of 1-Boc-indole-5-boronic acid pinacol ester is 674-995-0.

What is the DSSTox Substance ID of 1-Boc-indole-5-boronic acid pinacol ester?

The DSSTox Substance ID of 1-Boc-indole-5-boronic acid pinacol ester is DTXSID40373841.

Is 1-Boc-indole-5-boronic acid pinacol ester considered as a canonicalized compound?

Yes, 1-Boc-indole-5-boronic acid pinacol ester is considered as a canonicalized compound.

Synthetic Use

Upstream Synthesis Route 1

• 73183-34-3
• 182344-70-3

• 777061-36-6

Reference: [1]Journal of the American Chemical Society,2020,vol. 142,p. 2087 - 2092
[2]Angewandte Chemie - International Edition,2018,vol. 57,p. 10999 - 11003
Angew. Chem.,2018,p. 11165 - 11169,5
[3]Journal of Organic Chemistry,2004,vol. 69,p. 6812 - 6820
[4]Patent: WO2013/28445,2013,A1 .Location in patent: Page/Page column 56

Downstream Synthesis Route 1

• 578-57-4
• 777061-36-6

• 269410-24-4

Reference: [1] Journal of Organic Chemistry, 2004, vol. 69, # 20, p. 6812 - 6820

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