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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-Piperazinecarboxylic acid, 4-benzo[b]thien-4-yl-, 1,1-dimethylethyl ester

O=C(N1CCN(CC1)c1cccc2c1ccs2)OC(C)(C)C Request for Quotation
Chemical Name: 1-Piperazinecarboxylic acid, 4-benzo[b]thien-4-yl-, 1,1-dimethylethyl ester
CAS Number: 1191901-07-1
Product Number: AG000IAY(AGN-PC-0WAJPC)
Synonyms:
MDL No:
Molecular Formula: C17H22N2O2S
Molecular Weight: 318.4338

Identification/Properties

Computed Properties
Molecular Weight:
318.435g/mol
XLogP3:
3.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
318.14g/mol
Monoisotopic Mass:
318.14g/mol
Topological Polar Surface Area:
61A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
402
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


The tert-Butyl 4-(benzo[b]thiophen-4-yl)piperazine-1-carboxylate compound plays a crucial role in chemical synthesis by serving as a versatile building block for the creation of various compounds. This specific molecule offers a unique combination of structural features that make it valuable in the development of complex organic molecules with enhanced properties.In chemical synthesis, tert-Butyl 4-(benzo[b]thiophen-4-yl)piperazine-1-carboxylate can be employed as a key intermediate for the synthesis of pharmaceuticals, agrochemicals, and materials with specialized functions. Its structural elements enable it to participate in a range of chemical reactions, allowing for the introduction of specific functional groups or modifications at targeted positions in a molecule.Furthermore, the presence of the benzo[b]thiophene moiety in this compound provides opportunities for the construction of heterocyclic frameworks, which are prevalent in many biologically active compounds. By incorporating tert-Butyl 4-(benzo[b]thiophen-4-yl)piperazine-1-carboxylate into synthesis pathways, chemists can access a diverse array of molecules with potential applications in medicinal chemistry, materials science, and other fields.Overall, the use of tert-Butyl 4-(benzo[b]thiophen-4-yl)piperazine-1-carboxylate in chemical synthesis facilitates the development of novel compounds and the exploration of new chemical space, making it a valuable tool for researchers seeking to create innovative and impactful molecules.