Cas no 59812-34-9 (METHYL 3-CHLORO-6-METHYLBENZOBTHIOPHENE-2-CARBOXYLATE)

Methyl 3-chloro-6-methylbenzothiophene-2-carboxylate is a versatile heterocyclic compound featuring a benzothiophene core functionalized with a chloro group at the 3-position and a methyl ester at the 2-position. Its structural framework makes it a valuable intermediate in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and materials science applications. The presence of both electron-withdrawing (chloro) and electron-donating (methyl) substituents enhances its reactivity, enabling selective modifications for tailored derivatives. The ester group offers further functionalization potential via hydrolysis or transesterification. This compound exhibits stability under standard conditions, ensuring reliable handling and storage for synthetic workflows. Its well-defined reactivity profile supports its use in cross-coupling reactions and other transformations.
METHYL 3-CHLORO-6-METHYLBENZOBTHIOPHENE-2-CARBOXYLATE structure
59812-34-9 structure
Product Name:METHYL 3-CHLORO-6-METHYLBENZOBTHIOPHENE-2-CARBOXYLATE
CAS No:59812-34-9
MF:C11H9ClO2S
MW:240.705960988998
MDL:MFCD01630702
CID:877583
PubChem ID:24883483
Update Time:2025-06-14

METHYL 3-CHLORO-6-METHYLBENZOBTHIOPHENE-2-CARBOXYLATE Chemical and Physical Properties

Names and Identifiers

    • methyl 3-chloro-6-methyl-1-benzothiophene-2-carboxylate
    • 3-CHLOR-6-METHYLBENZO[B]THIOPHEN-2-CARBONS?UREMETHYLESTER
    • Methyl 3-Chloro-6-Methylbenzo[b]Thiophene-2-Carboxylate
    • 3-chloro-2-methoxycarbonyl-6-methylbenzo[b]thiophene
    • 3-chloro-6-methyl-benzo[b]thiophene-2-carboxylic acid methyl ester
    • AC1N4EHN
    • AE-641
    • CTK1G7750
    • methyl 3-chloro-6-methylbenzo[b]thiophen-2-carboxylate
    • methyl 3-chloro-6-methylbenzo< b>
    • methyl 6-Methyl-3-Chlorobenzo[b]thiophene-2-Carboxylate
    • SCHEMBL5023563
    • 59812-34-9
    • MFCD01630702
    • CS-0282034
    • Methyl 3-chloro-6-methylbenzo(b)thiophe&
    • Methyl 3-chloro-6-methylbenzo[b]thiophene-2-carboxylate, 97%
    • Benzo[b]thiophene-2-carboxylic acid, 3-chloro-6-methyl-, methyl ester
    • Z275159006
    • AKOS003236004
    • DTXSID40400005
    • G84670
    • ALBB-012096
    • STK424639
    • VS-05384
    • AE-641/05550051
    • MGACFENQJJMRFI-UHFFFAOYSA-N
    • BBL016581
    • METHYL 3-CHLORO-6-METHYLBENZOBTHIOPHENE-2-CARBOXYLATE
    • MDL： MFCD01630702
    • Inchi： 1S/C11H9ClO2S/c1-6-3-4-7-8(5-6)15-10(9(7)12)11(13)14-2/h3-5H,1-2H3
    • InChI Key： MGACFENQJJMRFI-UHFFFAOYSA-N
    • SMILES： ClC1=C(C(=O)OC)SC2C=C(C)C=CC=21

Computed Properties

  • Exact Mass: 240.00127
  • Monoisotopic Mass: 240.0011784g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 259
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 4.1
  • Topological Polar Surface Area: 54.5?2

Experimental Properties

  • Color/Form: Not available
  • Melting Point: 88-92?°C (lit.)
  • PSA: 26.3
  • Solubility: Not available

METHYL 3-CHLORO-6-METHYLBENZOBTHIOPHENE-2-CARBOXYLATE Security Information

  • Symbol: GHS07
  • Signal Word：Warning
  • Hazard Statement： H319-H413
  • Warning Statement： P305+P351+P338
  • Hazardous Material transportation number：NONH for all modes of transport
  • WGK Germany：3
  • Safety Instruction： 22-24/25
  • HazardClass：IRRITANT

METHYL 3-CHLORO-6-METHYLBENZOBTHIOPHENE-2-CARBOXYLATE Pricemore >>

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METHYL 3-CHLORO-6-METHYLBENZOBTHIOPHENE-2-CARBOXYLATE Related Literature

Additional information on METHYL 3-CHLORO-6-METHYLBENZOBTHIOPHENE-2-CARBOXYLATE

Comprehensive Overview of METHYL 3-CHLORO-6-METHYLBENZOBTHIOPHENE-2-CARBOXYLATE (CAS No. 59812-34-9)

METHYL 3-CHLORO-6-METHYLBENZOBTHIOPHENE-2-CARBOXYLATE (CAS No. 59812-34-9) is a specialized organic compound widely utilized in pharmaceutical and agrochemical research. This benzothiophene derivative is recognized for its unique structural properties, making it a valuable intermediate in synthetic chemistry. Researchers and industries often seek this compound for its potential applications in drug discovery and material science.

The growing interest in heterocyclic compounds like METHYL 3-CHLORO-6-METHYLBENZOBTHIOPHENE-2-CARBOXYLATE stems from their versatility in creating bioactive molecules. With the rise of green chemistry and sustainable synthesis methods, this compound has garnered attention for its role in developing environmentally friendly processes. Its chloro and methyl functional groups contribute to its reactivity, enabling diverse chemical transformations.

In recent years, the demand for high-purity intermediates such as METHYL 3-CHLORO-6-METHYLBENZOBTHIOPHENE-2-CARBOXYLATE has surged, driven by advancements in precision medicine and crop protection. The compound's CAS No. 59812-34-9 is frequently searched in academic and industrial databases, reflecting its relevance in cutting-edge research. Analysts highlight its potential in designing novel small-molecule inhibitors and functional materials.

From a technical perspective, the synthesis of METHYL 3-CHLORO-6-METHYLBENZOBTHIOPHENE-2-CARBOXYLATE involves multi-step reactions, often requiring optimized conditions to achieve high yields. Its benzothiophene core is a key feature, enabling interactions with biological targets. This has led to its exploration in drug delivery systems and catalysis, aligning with trends in nanotechnology and bioconjugation.

Safety and handling of METHYL 3-CHLORO-6-METHYLBENZOBTHIOPHENE-2-CARBOXYLATE are critical considerations in laboratory settings. While not classified as hazardous under standard regulations, proper storage and handling protocols are recommended to maintain its stability. The compound's methyl ester group enhances its solubility, facilitating its use in various organic solvents.

As the scientific community continues to explore benzothiophene-based compounds, METHYL 3-CHLORO-6-METHYLBENZOBTHIOPHENE-2-CARBOXYLATE remains a focal point for innovation. Its integration into high-throughput screening and combinatorial chemistry underscores its importance in modern research. Future studies may uncover additional applications, further solidifying its role in advancing chemical sciences.

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