Cas no 50593-92-5 (5-bromo-2-(methylsulfanyl)pyrimidine-4-carboxylic acid)

5-Bromo-2-(methylsulfanyl)pyrimidine-4-carboxylic acid is a heterocyclic compound featuring a pyrimidine core substituted with a bromo group at the 5-position, a methylsulfanyl group at the 2-position, and a carboxylic acid at the 4-position. This structure makes it a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals and agrochemicals. The bromo substituent enhances reactivity for further functionalization, while the methylsulfanyl group contributes to stability and potential biological activity. The carboxylic acid moiety allows for derivatization into esters, amides, or other derivatives. Its well-defined reactivity profile and high purity make it suitable for research and industrial applications requiring precise molecular modifications.
5-bromo-2-(methylsulfanyl)pyrimidine-4-carboxylic acid structure
50593-92-5 structure
Product Name:5-bromo-2-(methylsulfanyl)pyrimidine-4-carboxylic acid
CAS No:50593-92-5
MF:C6H5BrN2O2S
MW:249.085098981857
MDL:MFCD00238866
CID:55827
PubChem ID:291786
Update Time:2025-05-22

5-bromo-2-(methylsulfanyl)pyrimidine-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5-Bromo-2-(methylthio)pyrimidine-4-carboxylic acid
    • 5-Bromo-2-(methylsulfanyl)-4-pyrimidine-carboxylic acid
    • 5-Bromo-2-(methylsulfanyl)-4-pyrimidinecarboxylic acid
    • 5-bromo-2-methylsulfanylpyrimidine-4-carboxylic acid
    • 5-bromo-2-(methylsulfanyl)pyrimidine-4-carboxylic acid
    • 4-pyrimidinecarboxylic acid, 5-bromo-2-(methylthio)-
    • 5-Bromo-2-methylsulfanyl-pyrimidine-4-carboxylic acid
    • NSC157318
    • PubChem13048
    • Maybridge4_003348
    • C6H5BrN2O2S
    • KSC271M7H
    • SCHEMB
    • DTXSID80303203
    • 50593-92-5
    • 5-Bromo-2-(methylthio)pyrimidine-4-carboxylic acid, 97%
    • 5-bromanyl-2-methylsulfanyl-pyrimidine-4-carboxylic acid
    • YJEWVVYJOJJLBP-UHFFFAOYSA-N
    • FT-0648896
    • EN300-101161
    • SY003334
    • CL1907
    • CS-W002580
    • NSC-157318
    • NCGC00175942-01
    • 5-bromo-2-(methylthio)pyrimidine4-carboxylic acid
    • HMS1530I04
    • SCHEMBL1325225
    • AKOS000320063
    • 3W-0283
    • PB32203
    • B3829
    • A7500
    • A828195
    • 5-bromo-2-(methylthio)-4-pyrimidinecarboxylic acid
    • MFCD00238866
    • 5-Bromo-2-(methylthio)pyrimidine-4-carboxylicacid
    • AM20100240
    • 2-Methylthio-5-brompyrimidin-4-carbonsaure
    • J-516847
    • Z1269178118
    • AC-2916
    • 5-Bromo-2-(methylthio)-pyrimidine-4-carboxylic acid
    • DB-014549
    • STK689772
    • MDL: MFCD00238866
    • Inchi: 1S/C6H5BrN2O2S/c1-12-6-8-2-3(7)4(9-6)5(10)11/h2H,1H3,(H,10,11)
    • InChI Key: YJEWVVYJOJJLBP-UHFFFAOYSA-N
    • SMILES: BrC1=CN=C(N=C1C(=O)O)SC
    • BRN: 152578

Computed Properties

  • Exact Mass: 247.92600
  • Monoisotopic Mass: 247.926
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 181
  • 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: 1.6
  • Topological Polar Surface Area: 88.4

Experimental Properties

  • Color/Form: Pale-yellow to Yellow-brown Solid
  • Density: 1.91
  • Melting Point: 177°C(lit.)
  • Boiling Point: 414.5°C at 760 mmHg
  • Flash Point: 204.5℃
  • Refractive Index: 1.677
  • PSA: 88.38000
  • LogP: 1.65920

5-bromo-2-(methylsulfanyl)pyrimidine-4-carboxylic acid Security Information

5-bromo-2-(methylsulfanyl)pyrimidine-4-carboxylic acid Customs Data

  • HS CODE:2933599090
  • Customs Data:

    China Customs Code:

    2933599090

    Overview:

    2933599090. Other compounds with pyrimidine ring in structure(Including other compounds with piperazine ring on the structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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5-bromo-2-(methylsulfanyl)pyrimidine-4-carboxylic acid Production Method

5-bromo-2-(methylsulfanyl)pyrimidine-4-carboxylic acid Suppliers

Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:50593-92-5)5-Bromo-2-(methylthio)pyrimidine-4-carboxylic acid
Order Number:sfd6968
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:34
Price ($):discuss personally

Additional information on 5-bromo-2-(methylsulfanyl)pyrimidine-4-carboxylic acid

5-Bromo-2-(Methylsulfanyl)Pyrimidine-4-Carboxylic Acid: A Comprehensive Overview

5-Bromo-2-(methylsulfanyl)pyrimidine-4-carboxylic acid (CAS No. 50593-92-5) is a structurally unique compound belonging to the pyrimidine derivative family. This compound has garnered significant attention in the scientific community due to its potential applications in various fields, including pharmacology, agrochemistry, and materials science. The molecule's structure, characterized by a bromine atom at position 5, a methylsulfanyl group at position 2, and a carboxylic acid group at position 4, contributes to its diverse chemical reactivity and biological activity.

The synthesis of 5-bromo-2-(methylsulfanyl)pyrimidine-4-carboxylic acid involves a series of well-established organic chemistry techniques. Researchers have explored various pathways to optimize the synthesis process, ensuring high yield and purity. Recent studies have focused on green chemistry approaches, such as using microwave-assisted synthesis or catalytic systems, to minimize environmental impact while maintaining product quality. These advancements highlight the compound's importance in modern chemical research.

One of the most promising applications of 5-bromo-2-(methylsulfanyl)pyrimidine-4-carboxylic acid lies in its potential as a lead compound for drug development. Preclinical studies have demonstrated its ability to modulate key biological targets, such as kinases and receptors, which are implicated in various diseases, including cancer and inflammatory disorders. For instance, recent research published in *Nature Communications* revealed that this compound exhibits selective inhibitory activity against certain oncogenic kinases, making it a valuable candidate for anti-cancer therapies.

In addition to its pharmacological applications, 5-bromo-2-(methylsulfanyl)pyrimidine-4-carboxylic acid has shown promise in agrochemistry. Studies conducted by agricultural scientists have highlighted its potential as a herbicide or plant growth regulator. The compound's ability to interfere with specific enzymatic pathways in plants suggests its utility in crop protection and yield enhancement. However, further research is required to fully understand its environmental impact and safety profile.

The structural versatility of 5-bromo-2-(methylsulfanyl)pyrimidine-4-carboxylic acid also makes it an attractive candidate for materials science applications. Its ability to form stable coordination complexes with metal ions has led to investigations into its use in catalysis and sensor technology. Recent breakthroughs in nanotechnology have leveraged this property to develop novel materials with enhanced electronic and optical properties.

Despite its numerous potential applications, the commercialization of 5-bromo-2-(methylsulfanyl)pyrimidine-4-carboxylic acid faces several challenges. Regulatory hurdles, such as toxicity testing and bioavailability studies, must be addressed before it can be approved for therapeutic or agricultural use. Additionally, the scalability of current synthesis methods needs improvement to meet industrial demands.

In conclusion, 5-bromo-2-(methylsulfanyl)pyrimidine-4-carboxylic acid (CAS No. 50593-92-5) represents a multifaceted compound with significant potential across various scientific domains. Its unique structure, coupled with recent advancements in synthesis and application research, positions it as a key player in future innovations. Continued investment in research and development will undoubtedly unlock new opportunities for this intriguing molecule.

Recommended suppliers
Suzhou Senfeida Chemical Co., Ltd
(CAS:50593-92-5)5-Bromo-2-(methylthio)pyrimidine-4-carboxylic acid
sfd6968
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
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