Cas no 93340-09-1 (Methyl 3-cyano-2-methylbenzoate)

Methyl 3-cyano-2-methylbenzoate structure
93340-09-1 structure
Product Name:Methyl 3-cyano-2-methylbenzoate
CAS No:93340-09-1
MF:C10H9NO2
MW:175.183962583542
MDL:MFCD14584407
CID:1982151
PubChem ID:13170186
Update Time:2025-07-19

Methyl 3-cyano-2-methylbenzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 3-cyano-2-methylbenzoate
    • 3-cyano-2-methyl-benzoic acid methyl ester
    • KB-54114
    • Benzoic acid, 3-cyano-2-methyl-, methyl ester
    • SureCN646271
    • methyl 3-cyano-o-toluate
    • 3-Cyan-2-methyl-benzoesaeure-methylester
    • AGN-PC-00L9HY
    • 3-Cyano-2-methylBenzoic acid methyl ester
    • o-Toluic acid, 3-cyano-, methyl ester (6CI)
    • CS-0134946
    • DTXSID30524446
    • DB-017996
    • 3-Cyano-2-methylBenzoic acid methyl ester
    • methyl3-cyano-2-methylbenzoate
    • F53204
    • 93340-09-1
    • BS-46069
    • FHBWZNLFBLOUKX-UHFFFAOYSA-N
    • MFCD14584407
    • SCHEMBL646271
    • SY244571
    • MDL: MFCD14584407
    • Inchi: 1S/C10H9NO2/c1-7-8(6-11)4-3-5-9(7)10(12)13-2/h3-5H,1-2H3
    • InChI Key: FHBWZNLFBLOUKX-UHFFFAOYSA-N
    • SMILES: N#CC1C(C)=C(C(OC)=O)C=CC=1

Computed Properties

  • Exact Mass: 175.063328530g/mol
  • Monoisotopic Mass: 175.063328530g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 241
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.9
  • Topological Polar Surface Area: 50.1?2

Methyl 3-cyano-2-methylbenzoate Pricemore >>

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Methyl 3-cyano-2-methylbenzoate Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Sodium carbonate Catalysts: Palladium diacetate Solvents: Dimethylacetamide ;  10 h, 120 °C; 120 °C → rt
Reference
Preparation of indenoisoquinolinone analogs for treating and preventing diseases
, World Intellectual Property Organization, , ,

Production Method 2

Reaction Conditions
1.1 Reagents: Sodium carbonate Catalysts: Palladium diacetate Solvents: Dimethylacetamide ;  10 h, 120 °C; 120 °C → rt
Reference
Preparation of indenoisoquinolinone analogs as inhibitors of poly(ADP-ribose) polymerase
, World Intellectual Property Organization, , ,

Production Method 3

Reaction Conditions
1.1 Reagents: Sodium carbonate Catalysts: Palladium diacetate Solvents: Dimethylamine ;  rt → 120 °C; 4 h, 120 °C; 18 h, rt
Reference
Synthesis of tropane derivatives for pharmaceutical use
, World Intellectual Property Organization, , ,

Production Method 4

Reaction Conditions
1.1 Reagents: Sodium carbonate Catalysts: Palladium diacetate Solvents: Dimethylacetamide ;  36.5 h, 120 °C
Reference
Preparation of substituted pyrazolopyrimidines as antagonists of the adenosine A2a receptor
, World Intellectual Property Organization, , ,

Production Method 5

Reaction Conditions
Reference
Preparation of quinoline derivatives as antiallergics and antiinflammatories
, World Intellectual Property Organization, , ,

Production Method 6

Reaction Conditions
1.1 Reagents: Hydrochloric acid Solvents: Water
Reference
The oxazoline-benzyne route to 1,2,3-trisubstituted benzenes. Tandem addition of organolithiums, organocuprates, and α-lithionitriles to benzynes
Pansegrau, Paul D.; Rieker, William F.; Meyers, A. I., Journal of the American Chemical Society, 1988, 110(21), 7178-84

Production Method 7

Reaction Conditions
1.1 Reagents: Polyethylene glycol lauryl ether ,  Poly(methylhydrosiloxane) Catalysts: [2′-(Amino-κN)[1,1′-biphenyl]-2-yl-κC][[5-(diphenylphosphino)-9,9-dimethyl-9H-xa… Solvents: Water ;  24 h, 55 °C
1.2 Reagents: Sodium bicarbonate Solvents: Water
Reference
Late-stage Pd-catalyzed Cyanations of Aryl/Heteroaryl Halides in Aqueous Micellar Media
Thakore, Ruchita R.; Takale, Balaram S. ; Singhania, Vani; Gallou, Fabrice; Lipshutz, Bruce H., ChemCatChem, 2021, 13(1), 212-216

Production Method 8

Reaction Conditions
1.1 Reagents: Sodium carbonate Catalysts: Palladium diacetate Solvents: Dimethylacetamide ;  10 h, rt → 120 °C
Reference
Preparation of oxoindoline derivatives as protein function modulators
, World Intellectual Property Organization, , ,

Production Method 9

Reaction Conditions
1.1 Reagents: Hydrochloric acid
1.2 -
Reference
Tandem addition-rearrangement of nitrile anions to benzyne. A convenient synthesis of 3-cyano-2-alkylbenzoic acids and benzaldehydes
Meyers, A. I.; Pansegrau, Paul D., Tetrahedron Letters, 1984, 25(28), 2941-4

Production Method 10

Reaction Conditions
Reference
Metabotropic glutamate receptor positive allosteric modulators and uses thereof
, World Intellectual Property Organization, , ,

Methyl 3-cyano-2-methylbenzoate Raw materials

Methyl 3-cyano-2-methylbenzoate Preparation Products

Additional information on Methyl 3-cyano-2-methylbenzoate

Comprehensive Overview of Methyl 3-cyano-2-methylbenzoate (CAS No. 93340-09-1): Properties, Applications, and Industry Insights

Methyl 3-cyano-2-methylbenzoate (CAS No. 93340-09-1) is a specialized organic compound widely recognized for its versatile applications in pharmaceuticals, agrochemicals, and fine chemical synthesis. This ester derivative, featuring a cyano group and a methyl ester moiety, has garnered significant attention due to its role as a key intermediate in the synthesis of complex molecules. Its molecular structure, C10H9NO2, combines reactivity and stability, making it a valuable building block in modern chemical research.

In recent years, the demand for high-purity Methyl 3-cyano-2-methylbenzoate has surged, driven by advancements in drug discovery and crop protection technologies. Researchers frequently search for "synthesis methods for Methyl 3-cyano-2-methylbenzoate" or "CAS 93340-09-1 suppliers," reflecting its commercial and scientific relevance. The compound's unique electron-withdrawing cyano group enhances its utility in nucleophilic substitution reactions, a topic often explored in academic forums and patent literature.

From an industrial perspective, Methyl 3-cyano-2-methylbenzoate is pivotal in the production of active pharmaceutical ingredients (APIs). Its incorporation into heterocyclic frameworks aligns with trends in targeted therapy and personalized medicine, addressing global health challenges. Environmental considerations also play a role, as manufacturers seek "green synthesis routes for 93340-09-1" to reduce waste and energy consumption—a response to the growing emphasis on sustainable chemistry.

Analytical techniques such as HPLC and GC-MS are commonly employed to ensure the purity of CAS 93340-09-1, particularly for regulatory compliance in GMP-certified facilities. Discussions around "spectroscopic data of Methyl 3-cyano-2-methylbenzoate" frequently appear in scientific databases, underscoring the need for precise characterization. Additionally, its solubility profiles and thermal stability are critical parameters for formulation scientists optimizing drug delivery systems.

Emerging applications of Methyl 3-cyano-2-methylbenzoate extend to material science, where it serves as a precursor for functional polymers and liquid crystals. Innovations in flexible electronics and organic semiconductors have further amplified interest in this compound. Industry reports highlight collaborations between academic institutions and chemical manufacturers to explore "scalable production techniques for 93340-09-1," ensuring cost-effectiveness without compromising quality.

In conclusion, Methyl 3-cyano-2-methylbenzoate (CAS No. 93340-09-1) exemplifies the intersection of chemistry and technology. Its multifaceted roles—from pharmaceutical intermediates to advanced materials—reflect the compound's adaptability to evolving scientific and industrial needs. As research continues to uncover new potentials, this molecule remains a cornerstone in innovation-driven sectors.

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