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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)-

1-O-tert-butyl 3-O-ethyl 3-benzylpiperidine-1,3-dicarboxylate

CCOC(=O)C1(CCCN(C1)C(=O)OC(C)(C)C)Cc1ccccc1 Request for Quotation
Chemical Name: 1-O-tert-butyl 3-O-ethyl 3-benzylpiperidine-1,3-dicarboxylate
CAS Number: 170842-80-5
Product Number: AG007862(AGN-PC-02IMTQ)
Synonyms:
MDL No: MFCD11500859
Molecular Formula: C20H29NO4
Molecular Weight: 347.4486

Identification/Properties

Computed Properties
Molecular Weight:
347.455g/mol
XLogP3:
3.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
7
Exact Mass:
347.21g/mol
Monoisotopic Mass:
347.21g/mol
Topological Polar Surface Area:
55.8A^2
Heavy Atom Count:
25
Formal Charge:
0
Complexity:
465
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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:
Danger
UN#:
2811
Hazard Statements:
H301
Precautionary Statements:
P301+P310
Class:
6.1
Packing Group:
Ⅲ

NMR Spectrum

Other Analytical Data

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Chemical Structure


In chemical synthesis, 1-tert-Butyl 3-ethyl 3-benzylpiperidine-1,3-dicarboxylate serves as a versatile building block due to its unique structural characteristics. This compound is commonly used as a key intermediate in the synthesis of various pharmaceuticals and organic compounds. Its tert-butyl, ethyl, and benzyl substituents provide opportunities for selective functional group manipulations, making it a valuable precursor in the creation of complex molecules. Additionally, the piperidine ring in the structure offers potential for ring-opening reactions, enabling further diversification of chemical structures. Thus, 1-tert-Butyl 3-ethyl 3-benzylpiperidine-1,3-dicarboxylate plays a crucial role in the efficient and strategic design of synthetic routes for the production of target compounds in research and industrial settings.