2-N-Boc-5-BPin-1,2,3,4-tetrahydroisoquinoline

• CAS: 1035235-26-7
• Catalog Number: ACM1035235267
• Category: Boronic Acids

Custom Q&A

What is the molecular formula of 2-N-Boc-5-BPin-1,2,3,4-tetrahydroisoquinoline?

The molecular formula is C20H30BNO4.

What is the molecular weight of 2-N-Boc-5-BPin-1,2,3,4-tetrahydroisoquinoline?

The molecular weight is 359.3 g/mol.

What is the IUPAC name of 2-N-Boc-5-BPin-1,2,3,4-tetrahydroisoquinoline?

The IUPAC name is tert-butyl 5-(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-5-BPin-1,2,3,4-tetrahydroisoquinoline?

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

What are the synonyms for 2-N-Boc-5-BPin-1,2,3,4-tetrahydroisoquinoline?

Synonyms include tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroisoquinoline-2(1H)-carboxylate and tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate.

What are the other identifiers for 2-N-Boc-5-BPin-1,2,3,4-tetrahydroisoquinoline?

The CAS identifier is 1035235-26-7, the EPA DSSTox Substance ID is DTXSID40726954, and the Wikidata identifier is Q82667916.

How many hydrogen bond acceptor count does 2-N-Boc-5-BPin-1,2,3,4-tetrahydroisoquinoline have?

It has 4 hydrogen bond acceptor counts.

What is the topological polar surface area of 2-N-Boc-5-BPin-1,2,3,4-tetrahydroisoquinoline?

The topological polar surface area is 48 Ų.

Is the compound canonicalized?

Yes, the compound is canonicalized.

What is the formal charge of 2-N-Boc-5-BPin-1,2,3,4-tetrahydroisoquinoline?

The formal charge is 0.

Synthetic Use

Upstream Synthesis Route 1

• 215184-78-4
• 73183-34-3

• 1035235-26-7

Reference: [1] Patent: WO2010/146105, 2010, A1, . Location in patent: Page/Page column 86-87

Upstream Synthesis Route 2

• 24424-99-5

• 1035235-26-7

Reference: [1] Patent: WO2010/146105, 2010, A1,

Upstream Synthesis Route 3

• 1258856-73-3

• 1035235-26-7

Reference: [1] Patent: WO2010/146105, 2010, A1,

Upstream Synthesis Route 4

• 215184-78-4
• 73183-34-3

• 1035235-26-7

Reference: [1]Patent: WO2010/146105,2010,A1 .Location in patent: Page/Page column 86-87