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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 2-Amino-5-Cyano-3-Methylbenzoate

COC(=O)c1cc(C#N)cc(c1N)C Request for Quotation
Chemical Name: Methyl 2-Amino-5-Cyano-3-Methylbenzoate
CAS Number: 1032667-87-0
Product Number: AG019EU7(AGN-PC-0WQVOR)
Synonyms:
MDL No:
Molecular Formula: C10H10N2O2
Molecular Weight: 190.1986

Identification/Properties

Computed Properties
Molecular Weight:
190.202g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
190.074g/mol
Monoisotopic Mass:
190.074g/mol
Topological Polar Surface Area:
76.1A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
269
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


Methyl 2-amino-5-cyano-3-methylbenzoate is a versatile compound used in chemical synthesis for the creation of various pharmaceuticals, agrochemicals, and materials. This compound serves as a crucial building block in the development of new molecules due to its unique chemical properties and reactivity. Its application in organic synthesis is particularly notable in the following ways:1. **Medicinal Chemistry**: Methyl 2-amino-5-cyano-3-methylbenzoate is frequently employed in the synthesis of pharmaceutical compounds due to its potential biological activity. By incorporating this moiety into drug candidates, researchers can explore new avenues for developing treatments for a wide range of diseases.2. **Agrochemical Development**: The synthesis of pesticides, herbicides, and fungicides often involves the use of methyl 2-amino-5-cyano-3-methylbenzoate as a key intermediate. Its structural features enable the modification of molecules to enhance their efficacy and specificity, contributing to the advancement of agricultural chemistry.3. **Materials Science**: In materials science, this compound plays a crucial role in the creation of functional materials with specialized properties. By incorporating methyl 2-amino-5-cyano-3-methylbenzoate into polymer structures or other materials, researchers can tailor their characteristics for specific applications such as coatings, adhesives, or electronic devices.4. **Peptide Synthesis**: Methyl 2-amino-5-cyano-3-methylbenzoate is also used in peptide synthesis as a protecting group for amino acids. Its compatibility with various coupling reagents and its stability under common reaction conditions make it a valuable tool for constructing peptide chains with high purity and efficiency.Overall, the strategic incorporation of methyl 2-amino-5-cyano-3-methylbenzoate in chemical synthesis enables the preparation of diverse compounds with significant implications for drug discovery, agriculture, materials development, and peptide chemistry. Its versatility and utility make it a valuable asset in the toolkit of synthetic chemists seeking to advance their research and innovation in these fields.