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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)-

Ethyl 3-tert-butyl-1H-pyrazole-5-carboxylate

CCOC(=O)c1[nH]nc(c1)C(C)(C)C Request for Quotation
Chemical Name: Ethyl 3-tert-butyl-1H-pyrazole-5-carboxylate
CAS Number: 916791-97-4
Product Number: AG003Q68(AGN-PC-0OMV4O)
Synonyms:
MDL No:
Molecular Formula: C10H16N2O2
Molecular Weight: 196.2462

Identification/Properties

Properties
MP:
141-144°C
BP:
322.3°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
196.25g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
196.121g/mol
Monoisotopic Mass:
196.121g/mol
Topological Polar Surface Area:
55A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
211
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


Ethyl 3-(tert-butyl)-1H-pyrazole-5-carboxylate is a versatile compound widely utilized in chemical synthesis for the preparation of diverse organic molecules. This compound serves as a key building block in the synthesis of pharmaceuticals, agrochemicals, and other fine chemicals due to its unique structural features and reactivity.In organic synthesis, Ethyl 3-(tert-butyl)-1H-pyrazole-5-carboxylate is commonly employed as a precursor for the introduction of the pyrazole moiety into target molecules. The tert-butyl group provides steric hindrance, influencing the overall reactivity and selectivity of chemical reactions involving this compound.Moreover, the carboxylate functionality enables further derivatization through various chemical transformations such as esterification, amidation, or hydrolysis, expanding the scope of synthetic pathways available for the creation of complex molecules.Overall, Ethyl 3-(tert-butyl)-1H-pyrazole-5-carboxylate plays a crucial role in modern organic synthesis by enabling the efficient construction of diverse organic scaffolds with potential applications in the fields of medicine, agriculture, and materials science.