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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)-

Benzoic acid, 5-methoxy-2-nitro-, methyl ester

COc1ccc(c(c1)C(=O)OC)[N+](=O)[O-] Request for Quotation
Chemical Name: Benzoic acid, 5-methoxy-2-nitro-, methyl ester
CAS Number: 2327-45-9
Product Number: AG002MQH(AGN-PC-0NK0N5)
Synonyms:
MDL No:
Molecular Formula: C9H9NO5
Molecular Weight: 211.1715

Identification/Properties

Computed Properties
Molecular Weight:
211.173g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
211.048g/mol
Monoisotopic Mass:
211.048g/mol
Topological Polar Surface Area:
81.4A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
249
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#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


The application of Methyl 5-methoxy-2-nitrobenzoate in chemical synthesis is significant due to its versatile properties. This compound serves as a key building block in the creation of various pharmaceuticals, agrochemicals, and fine chemicals. It functions as a crucial intermediate in the synthesis of complex organic molecules, facilitating the development of novel compounds with targeted properties.In chemical synthesis, Methyl 5-methoxy-2-nitrobenzoate can act as a precursor in the formation of diverse functional groups through a series of reactions such as reduction, acylation, or substitution. Its presence enables chemists to introduce specific functionalities into the molecular structure, enhancing the biological or chemical activity of the final product. Additionally, the ability of this compound to undergo various transformations makes it a valuable tool for the creation of diverse molecular scaffolds.By incorporating Methyl 5-methoxy-2-nitrobenzoate into synthetic pathways, researchers can access a wide range of derivatives with tailored properties, enabling the development of innovative materials, medicines, and agrochemicals. This compound's role in chemical synthesis highlights its importance as a versatile building block that contributes to the advancement of various fields in the chemical industry.