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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)-

3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid

O=C(N1CCN(CC1)c1cccc(c1)C(=O)O)OC(C)(C)C Request for Quotation
Chemical Name: 3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid
CAS Number: 193818-13-2
Product Number: AG003I32(AGN-PC-079RWG)
Synonyms:
MDL No: MFCD06657287
Molecular Formula: C16H22N2O4
Molecular Weight: 306.3569

Identification/Properties

Properties
BP:
434.5°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
306.362g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
306.158g/mol
Monoisotopic Mass:
306.158g/mol
Topological Polar Surface Area:
70.1A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
411
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

NMR Spectrum

Other Analytical Data

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Chemical Structure


The 3-(4-(tert-Butoxycarbonyl)piperazin-1-yl)benzoic acid is a versatile compound commonly employed in chemical synthesis as a key building block. Its unique structure containing a piperazine ring and a benzoic acid moiety allows for a wide range of applications in the creation of various organic compounds.First and foremost, this compound is frequently used as a precursor in the synthesis of pharmaceuticals and bioactive molecules. The presence of the piperazine ring imparts biological activity to resulting compounds, making it particularly valuable in drug discovery and development. In addition, the benzoic acid functionality of this compound serves as a versatile handle for further derivatization. Through strategic functional group transformations, chemists can modify the structure of the molecule to introduce specific properties or enhance its reactivity, allowing for tailored design of target molecules.Moreover, the tert-Butoxycarbonyl (Boc) protecting group on the piperazine nitrogen atom provides selective reactivity, enabling controlled manipulation of the molecule during synthesis. This feature is crucial in multi-step organic synthesis processes where protecting groups are essential to prevent unwanted reactions and ensure the success of the overall synthetic route. Overall, the 3-(4-(tert-Butoxycarbonyl)piperazin-1-yl)benzoic acid is a valuable compound in chemical synthesis, offering a combination of structural features that enable its utility in the construction of diverse organic molecules with applications in pharmaceuticals, materials science, and other fields.