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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)-

methyl 4-amino-2-cyanobenzoate

COC(=O)c1ccc(cc1C#N)N Request for Quotation
Chemical Name: methyl 4-amino-2-cyanobenzoate
CAS Number: 1628431-65-1
Product Number: AG001TGT(AGN-PC-09RZW0)
Synonyms:
MDL No:
Molecular Formula: C9H8N2O2
Molecular Weight: 176.1720

Identification/Properties

Computed Properties
Molecular Weight:
176.175g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
176.059g/mol
Monoisotopic Mass:
176.059g/mol
Topological Polar Surface Area:
76.1A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
243
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


Methyl 4-amino-2-cyanobenzoate is a versatile compound widely utilized in chemical synthesis processes. This compound serves as a crucial building block in the creation of various pharmaceuticals, agrochemicals, and specialty chemicals. Its unique structure and reactivity make it an essential intermediate in the synthesis of complex organic molecules.In chemical synthesis, Methyl 4-amino-2-cyanobenzoate is commonly employed as a key starting material for the production of diverse compounds. Through targeted modifications and reactions, chemists can transform this compound into a wide range of derivatives with specific functionalities and properties. These derivatives can be further used in the development of new drugs, pesticides, and advanced materials.By leveraging the reactivity and structural features of Methyl 4-amino-2-cyanobenzoate, chemists can access various synthetic pathways to access desired compounds efficiently. Its inclusion in synthetic schemes allows for the construction of intricate molecular structures with high precision and control. Overall, the application of Methyl 4-amino-2-cyanobenzoate in chemical synthesis enables the synthesis of valuable compounds that contribute to advancements in the fields of medicine, agriculture, and materials science.