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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

tert-Butyl 5-bromo-2H-spiro[benzofuran-3,4'-piperidine]-1'-carboxylate

Brc1ccc2c(c1)C1(CCN(CC1)C(=O)OC(C)(C)C)CO2 Request for Quotation
Chemical Name: tert-Butyl 5-bromo-2H-spiro[benzofuran-3,4'-piperidine]-1'-carboxylate
CAS Number: 1251015-16-3
Product Number: AG000N6G(AGN-PC-0WAHO7)
Synonyms:
MDL No:
Molecular Formula: C17H22BrNO3
Molecular Weight: 368.2655

Identification/Properties

Computed Properties
Molecular Weight:
368.271g/mol
XLogP3:
3.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
367.078g/mol
Monoisotopic Mass:
367.078g/mol
Topological Polar Surface Area:
38.8A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
426
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


The tert-Butyl 5-bromo-2H-spiro[benzofuran-3,4'-piperidine]-1'-carboxylate is a versatile compound widely used in chemical synthesis. It serves as a key building block in the preparation of various biologically active molecules, pharmaceuticals, and agrochemicals. The unique structure of this compound imparts specific reactivity and functional groups that are crucial for the creation of complex organic molecules. In synthesis, tert-Butyl 5-bromo-2H-spiro[benzofuran-3,4'-piperidine]-1'-carboxylate acts as a valuable intermediate, enabling chemists to introduce specific molecular motifs and stereochemical features into target compounds. Its role in the diversification of chemical libraries and the development of new synthetic methodologies highlights its importance in modern organic chemistry research and drug discovery efforts.