tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroisoquinoline-2(1H)-carboxylate

• CAS: 893566-72-8
• Catalog Number: ACM893566728
• Category: Boronic Acids
• Molecular Weight: 359.27
• Molecular Formula: C₂₀H₃₀BNO₄
• Synonyms: TERT-BUTYL 6-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATE;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroisoquinoli;N-Boc-1,2,3,4-tetrahydroisoquinoline-6-boronic acid pinacol ester

Custom Q&A

What is the molecular formula of tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroisoquinoline-2(1H)-carboxylate?

The molecular formula is C20H30BNO4.

What is the molecular weight of tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroisoquinoline-2(1H)-carboxylate?

The molecular weight is 359.3 g/mol.

What is the IUPAC name of tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate?

The IUPAC name is tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate.

What is the InChI key of tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-isoquinoline-2-carboxylate?

The InChI key is LPCZUBQFSBAHID-UHFFFAOYSA-N.

What is the canonical SMILES of tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-isoquinoline-2-carboxylate?

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

What is the CAS number of tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-isoquinoline-2-carboxylate?

The CAS number is 893566-72-8.

What is the EC number of tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-isoquinoline-2-carboxylate?

The EC number is 851-908-6.

What is the DSSTox Substance ID of tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-isoquinoline-2-carboxylate?

The DSSTox Substance ID is DTXSID50680917.

What is the hydrogen bond donor count of tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-isoquinoline-2-carboxylate?

The hydrogen bond donor count is 0.

Is tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-isoquinoline-2-carboxylate a canonicalized compound?

Yes, it is a canonicalized compound.

Synthetic Use

Upstream Synthesis Route 1

• 893566-75-1
• 893566-74-0
• 73183-34-3

• 893566-72-8
• 893566-73-9

Reference: [1]Patent: US2008/171754,2008,A1 .Location in patent: Page/Page column 102

Downstream Synthesis Route 1

• 866602-85-9
• 893566-72-8
• 893566-73-9

• 893566-71-7

Reference: [1]Current Patent Assignee: ASTRAZENECA PLC - WO2006/65216, 2006, A1
Location in patent: Page/Page column 22-23

Downstream Synthesis Route 2

• 304902-96-3
• 893566-72-8
• 893566-73-9

• 893567-06-1

Reference: [1]Current Patent Assignee: ASTRAZENECA PLC - WO2006/65215, 2006, A1
Location in patent: Page/Page column 23

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