Tert-butyl 7-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-3,4,4a,9a-tetrahydro[1]benzofuro[2,3-c]pyridine-2(1H)-carboxylate

HCID 68305718
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCC2c3ccc(B4OC(C)(C)C(C)(C)O4)cc3OC2C1
InChIKey
OESCVUAOVOHYOC-UHFFFAOYSA-N
Molecular formula
C22H32BNO5
Average molar mass
401.3 g/mol

Names & identifiers

Preferred name
Tert-butyl 7-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-3,4,4a,9a-tetrahydro[1]benzofuro[2,3-c]pyridine-2(1H)-carboxylate
IUPAC
tert-butyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4,4a,9a-tetrahydro-1H-[1]benzofuro[2,3-c]pyridine-2-carboxylate

Names & synonyms

SCHEMBL12518729OESCVUAOVOHYOC-UHFFFAOYSA-NTert-butyl 7-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-3,4,4a,9a-tetrahydro[1]benzofuro[2,3-c]pyridine-2(1H)-carboxylate

Database identifiers

PubChem CID
68305718

Properties

Computed structural properties

Topological polar surface area
57.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
29

Related reactions

1 records
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Compound notes

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