Cas no 127510-94-5 (Methyl 2-cyano-5-methylbenzoate)

Methyl 2-cyano-5-methylbenzoate is a versatile intermediate in organic synthesis, characterized by its ester and nitrile functional groups. Its molecular structure, featuring a methyl substituent on the aromatic ring, enhances reactivity in various chemical transformations, such as nucleophilic substitutions and cyclization reactions. This compound is particularly valuable in pharmaceutical and agrochemical research, where it serves as a precursor for heterocyclic compounds and active ingredients. Its stability under standard conditions and compatibility with common solvents facilitate handling in laboratory settings. The presence of both electron-withdrawing (cyano) and electron-donating (methyl) groups allows for selective modifications, making it a useful building block in fine chemical synthesis.
Methyl 2-cyano-5-methylbenzoate structure
127510-94-5 structure
Product Name:Methyl 2-cyano-5-methylbenzoate
CAS No:127510-94-5
MF:C10H9NO2
MW:175.183962583542
CID:2899421
PubChem ID:14835428
Update Time:2025-11-01

Methyl 2-cyano-5-methylbenzoate Chemical and Physical Properties

Names and Identifiers

    • 2-cyano-5-methyl-benzoic acid methyl ester
    • methyl 2-cyano-5-methylbenzoate
    • Benzoic acid, 2-cyano-5-methyl-, methyl ester
    • 2-cyano-5-methylbenzoic acid methyl ester
    • methyl2-cyano-5-methylbenzoate
    • MFCD18399108
    • BS-46119
    • DB-134722
    • SCHEMBL5846153
    • 127510-94-5
    • DTXSID201254191
    • CS-0135019
    • EN300-6498295
    • SY317581
    • Methyl 2-cyano-5-methylbenzoate
    • Inchi: 1S/C10H9NO2/c1-7-3-4-8(6-11)9(5-7)10(12)13-2/h3-5H,1-2H3
    • InChI Key: FLTPXVBMNRMBQN-UHFFFAOYSA-N
    • SMILES: O(C)C(C1=C(C#N)C=CC(C)=C1)=O

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

Methyl 2-cyano-5-methylbenzoate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
M239375-50mg
Methyl 2-cyano-5-methylbenzoate
127510-94-5
50mg
$ 375.00 2022-06-04
TRC
M239375-100mg
Methyl 2-cyano-5-methylbenzoate
127510-94-5
100mg
$ 620.00 2022-06-04
TRC
M239375-250mg
Methyl 2-cyano-5-methylbenzoate
127510-94-5
250mg
$ 1240.00 2022-06-04
SHANG HAI BI DE YI YAO KE JI GU FEN Co., Ltd.
BD00939012-250mg
Methyl 2-cyano-5-methylbenzoate
127510-94-5 95%
250mg
¥127.0 2022-03-01
SHANG HAI BI DE YI YAO KE JI GU FEN Co., Ltd.
BD00939012-1g
Methyl 2-cyano-5-methylbenzoate
127510-94-5 95%
1g
¥340.0 2022-03-01
SHANG HAI BI DE YI YAO KE JI GU FEN Co., Ltd.
BD00939012-5g
Methyl 2-cyano-5-methylbenzoate
127510-94-5 95%
5g
¥1025.0 2022-03-01
SHANG HAI BI DE YI YAO KE JI GU FEN Co., Ltd.
BD00939012-25g
Methyl 2-cyano-5-methylbenzoate
127510-94-5 95%
25g
¥3491.0 2022-03-01
eNovation Chemicals LLC
Y1080695-5g
2-cyano-5-methyl-benzoic acid methyl ester
127510-94-5 95%
5g
$235 2022-11-01
eNovation Chemicals LLC
Y1080695-10g
2-cyano-5-methyl-benzoic acid methyl ester
127510-94-5 95%
10g
$355 2022-11-01
Alichem
A015023483-250mg
Methyl 2-cyano-5-methylbenzoate
127510-94-5 97%
250mg
475.20 USD 2021-05-31

Additional information on Methyl 2-cyano-5-methylbenzoate

Methyl 2-cyano-5-methylbenzoate (CAS No. 127510-94-5): A Comprehensive Overview in Modern Chemical Research

Methyl 2-cyano-5-methylbenzoate, identified by its chemical abstracts service number CAS No. 127510-94-5, is a significant compound in the realm of organic chemistry and pharmaceutical research. This compound, featuring a benzoate ester group and a cyano substituent, has garnered attention due to its versatile applications in synthetic chemistry and potential roles in drug development. The structural uniqueness of Methyl 2-cyano-5-methylbenzoate makes it a valuable intermediate in the synthesis of more complex molecules, particularly in the field of medicinal chemistry.

The benzoate moiety in Methyl 2-cyano-5-methylbenzoate contributes to its stability and reactivity, making it a preferred choice for various chemical transformations. Recent studies have highlighted its utility in the synthesis of nonsteroidal anti-inflammatory drugs (NSAIDs) and other therapeutic agents. The cyano group, on the other hand, introduces a site for further functionalization, enabling the creation of derivatives with enhanced pharmacological properties.

In the context of modern pharmaceutical research, Methyl 2-cyano-5-methylbenzoate has been explored for its potential in developing novel treatments for neurological disorders. The compound's ability to interact with specific biological targets has been investigated through computational modeling and experimental validation. These studies suggest that derivatives of Methyl 2-cyano-5-methylbenzoate could serve as leads for new therapeutic strategies.

The synthesis of Methyl 2-cyano-5-methylbenzoate typically involves multi-step organic reactions, including esterification and cyanation processes. Advanced synthetic methodologies have been employed to optimize yield and purity, ensuring that the compound meets the stringent requirements of pharmaceutical applications. Techniques such as catalytic hydrogenation and palladium-catalyzed cross-coupling reactions have been particularly effective in achieving high-quality yields.

Recent advancements in green chemistry have also influenced the production of Methyl 2-cyano-5-methylbenzoate. Researchers are increasingly focusing on sustainable synthetic routes that minimize waste and reduce environmental impact. For instance, solvent-free reactions and microwave-assisted synthesis have been explored as alternative methods to conventional approaches, aligning with global efforts to promote eco-friendly chemical processes.

The pharmacological profile of Methyl 2-cyano-5-methylbenzoate has been a subject of extensive investigation. Preclinical studies have demonstrated its potential as an anticonvulsant and anxiolytic agent. The compound's interaction with neurotransmitter systems has been studied using both in vitro and in vivo models. These findings provide a foundation for further clinical trials aimed at evaluating its therapeutic efficacy in human populations.

In addition to its pharmaceutical applications, Methyl 2-cyano-5-methylbenzoate holds promise in materials science. Its unique structural features make it suitable for use as a precursor in the synthesis of advanced polymers and coatings. These materials exhibit enhanced durability and chemical resistance, making them valuable in industrial applications ranging from aerospace to automotive sectors.

The future direction of research on Methyl 2-cyano-5-methylbenzoate is likely to focus on expanding its therapeutic applications and exploring novel synthetic pathways. Collaborative efforts between academia and industry are expected to drive innovation, leading to the development of new derivatives with improved pharmacokinetic properties. Furthermore, interdisciplinary approaches combining chemistry, biology, and computer science will be instrumental in uncovering the full potential of this versatile compound.

Recommended suppliers
Inner Mongolia Xinhong Biological Technology Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Inner Mongolia Xinhong Biological Technology Co., Ltd
Nanjing jingzhu bio-technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Nanjing jingzhu bio-technology Co., Ltd.
Zhangzhou Sinobioway Peptide Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Zhangzhou Sinobioway Peptide Co.,Ltd.
TAIXING JOXIN BIO-TEC CO.,LTD.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
TAIXING JOXIN BIO-TEC CO.,LTD.
Wuhan ChemNorm Biotech Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Wuhan ChemNorm Biotech Co.,Ltd.