2-N-Boc-7-BPin-1,2,3,4-tetrahydroisoquinoline

• CAS: 937048-76-5
• Catalog Number: ACM937048765
• Category: Boronic Acids
• Molecular Weight: 359.267500 [g/mol]
• Molecular Formula: C₂₀H₃₀BNO₄
• Synonyms: tert-Butyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroisoquinoline-2(1H)-carboxylate, 937048-76-5, SCHEMBL2515678, UPDWDCOAUJYOTG-UHFFFAOYSA-N, AKOS015900867, AK-48783, DB-079669, 2-N-Boc-7-BPin-1,2,3,4-tetrahydroisoquinoline, I14-16295, 1,1-dimethylethyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2(1H)-isoquinolinecarboxylate, 7-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester, 7-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-3,4-dihydro-1H-Isoquinoline-2-carboxylic acid tert-butylester, tert-butyl 7-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroisoquinoline-2-carboxylate
• IUPAC Name: tert-butyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
• SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(CCN(C3)C(=O)OC(C)(C)C)C=C2
• InChI Key: UPDWDCOAUJYOTG-UHFFFAOYSA-N
• Boiling Point: 462.2±45.0 °C (760 mmHg)
• Density: 1.10±0.1 g/cm³ (20 °C, 760 mmHg)
• Exact Mass: 359.22700
• H-Bond Acceptor: 4
• H-Bond Donor: 0

Custom Q&A

What is the molecular formula of 2-N-Boc-7-BPin-1,2,3,4-tetrahydroisoquinoline?

The molecular formula is C20H30BNO4.

What is the molecular weight of 2-N-Boc-7-BPin-1,2,3,4-tetrahydroisoquinoline?

The molecular weight is 359.3 g/mol.

When was 2-N-Boc-7-BPin-1,2,3,4-tetrahydroisoquinoline created?

It was created on August 5, 2011.

When was 2-N-Boc-7-BPin-1,2,3,4-tetrahydroisoquinoline last modified?

It was last modified on December 2, 2023.

What is the IUPAC name of 2-N-Boc-7-BPin-1,2,3,4-tetrahydroisoquinoline?

The IUPAC name is tert-butyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate.

What is the InChI of 2-N-Boc-7-BPin-1,2,3,4-tetrahydroisoquinoline?

The InChI is InChI=1S/C20H30BNO4/c1-18(2,3)24-17(23)22-11-10-14-8-9-16(12-15(14)13-22)21-25-19(4,5)20(6,7)26-21/h8-9,12H,10-11,13H2,1-7H3.

What is the InChIKey of 2-N-Boc-7-BPin-1,2,3,4-tetrahydroisoquinoline?

The InChIKey is UPDWDCOAUJYOTG-UHFFFAOYSA-N.

What is the canonical SMILES of 2-N-Boc-7-BPin-1,2,3,4-tetrahydroisoquinoline?

The canonical SMILES is B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(CCN(C3)C(=O)OC(C)(C)C)C=C2.

How many hydrogen bond donor counts does 2-N-Boc-7-BPin-1,2,3,4-tetrahydroisoquinoline have?

It has 0 hydrogen bond donor count.

How many hydrogen bond acceptor counts does 2-N-Boc-7-BPin-1,2,3,4-tetrahydroisoquinoline have?

It has 4 hydrogen bond acceptor counts.

Synthetic Use

Upstream Synthesis Route 1

• 258515-65-0

• 937048-76-5

Reference: [1]Patent: WO2008/116185,2008,A2 .Location in patent: Page/Page column 63

Upstream Synthesis Route 2

• 258515-65-0
• 73183-34-3

• 937048-76-5

Reference: [1]Molecules,2019,vol. 24

Downstream Synthesis Route 1

• 322691-38-3
• 937048-76-5

• 1246209-83-5

Reference: [1]Current Patent Assignee: INCYTE CORP - US2010/240671, 2010, A1
Location in patent: Page/Page column 59

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