Cas no 1114543-47-3 (N-4-(3-Methoxypropoxy)-3-methyl-2-pyridinylmethyl Rabeprazole Sulfide)

N-4-(3-Methoxypropoxy)-3-methyl-2-pyridinylmethyl Rabeprazole Sulfide is a key intermediate in the synthesis of rabeprazole, a proton pump inhibitor (PPI) used in gastrointestinal therapeutics. This compound is characterized by its stable sulfide moiety and functionalized pyridinylmethyl group, which are critical for subsequent oxidation to the active sulfoxide form. Its structural features ensure high purity and reactivity, making it suitable for pharmaceutical manufacturing. The methoxypropoxy side chain enhances solubility and bioavailability, while the methyl substitution on the pyridine ring contributes to metabolic stability. This intermediate is rigorously controlled to meet industry standards, ensuring consistency in downstream drug production.
N-4-(3-Methoxypropoxy)-3-methyl-2-pyridinylmethyl Rabeprazole Sulfide structure
1114543-47-3 structure
Product Name:N-4-(3-Methoxypropoxy)-3-methyl-2-pyridinylmethyl Rabeprazole Sulfide
CAS No:1114543-47-3
MF:C29H36N4O4S
MW:536.685545921326
CID:824286
PubChem ID:25188859
Update Time:2025-11-02

N-4-(3-Methoxypropoxy)-3-methyl-2-pyridinylmethyl Rabeprazole Sulfide Chemical and Physical Properties

Names and Identifiers

    • 1-((4-(3-Methoxypropoxy)-3-methylpyridin-2-yl)methyl)-2-(((4-(3-methoxypropoxy)-3-methylpyridin-2-yl)methyl)thio)-1H-benzo[d]imidazole
    • N-[[4-(3-Methoxypropoxy)-3-methyl-2-pyridinyl]methyl] Rabeprazole Sulfide
    • 1-[[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methyl]-2-[[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methylsulfanyl]benzimidazole
    • N-[[4-(3-Methoxypropoxy)-3-methyl-2-pyridinyl]methyl] Rabeprazole Sulfide
    • 1114543-47-3
    • 1-{[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methyl}-2-({[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methyl}sulfanyl)-1H-1,3-benzodiazole
    • CS-0166561
    • DTXSID80648984
    • J-002578
    • 1-{[4-(3-Methoxypropoxy)-3-methylpyridin-2-yl]methyl}-2-({[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methyl}sulfanyl)-1H-benzimidazole
    • N-[[4-(3-Methoxypropoxy)-3-methyl-2-pyridinyl]methyl]rabeprazole sulfide
    • 1-((4-(3-methoxypropoxy)-3-methylpyridin-2-yl)methyl)-2-(((4-(3-methoxypropoxy)-3-methylpyridin-2-yl)methyl)thio)-1H-benzo[d]imidazole? (Rabeprazole Impurity
    • 1-[[4-(3-Methoxypropoxy)-3-methyl-2-pyridinyl]methyl]-2-[[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methyl]thio]-1H-benzimidazole
    • G86883
    • N-4-(3-Methoxypropoxy)-3-methyl-2-pyridinylmethyl Rabeprazole Sulfide
    • Inchi: 1S/C29H36N4O4S/c1-21-24(30-13-11-27(21)36-17-7-15-34-3)19-33-26-10-6-5-9-23(26)32-29(33)38-20-25-22(2)28(12-14-31-25)37-18-8-16-35-4/h5-6,9-14H,7-8,15-20H2,1-4H3
    • InChI Key: YULGRACUPORTPS-UHFFFAOYSA-N
    • SMILES: S(CC1C(C)=C(C=CN=1)OCCCOC)C1=NC2C=CC=CC=2N1CC1C(C)=C(C=CN=1)OCCCOC

Computed Properties

  • Exact Mass: 536.24600
  • Monoisotopic Mass: 536.24572682g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 38
  • Rotatable Bond Count: 15
  • Complexity: 664
  • 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: 4.4
  • Topological Polar Surface Area: 106?2

Experimental Properties

  • PSA: 105.82000
  • LogP: 5.61430

N-4-(3-Methoxypropoxy)-3-methyl-2-pyridinylmethyl Rabeprazole Sulfide Security Information

N-4-(3-Methoxypropoxy)-3-methyl-2-pyridinylmethyl Rabeprazole Sulfide Customs Data

  • HS CODE:2933990090
  • Customs Data:

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. 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:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

N-4-(3-Methoxypropoxy)-3-methyl-2-pyridinylmethyl Rabeprazole Sulfide Pricemore >>

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Additional information on N-4-(3-Methoxypropoxy)-3-methyl-2-pyridinylmethyl Rabeprazole Sulfide

N-4-(3-Methoxypropoxy)-3-methyl-2-pyridinylmethyl Rabeprazole Sulfide (CAS 1114543-47-3): A Comprehensive Overview

N-4-(3-Methoxypropoxy)-3-methyl-2-pyridinylmethyl Rabeprazole Sulfide (CAS 1114543-47-3) is a specialized chemical compound with significant relevance in pharmaceutical research and development. This compound, often referred to as a key intermediate in the synthesis of Rabeprazole derivatives, has garnered attention due to its potential applications in medicinal chemistry. In this article, we delve into the properties, synthesis, applications, and market trends of this compound, while addressing common queries and industry trends.

The molecular structure of N-4-(3-Methoxypropoxy)-3-methyl-2-pyridinylmethyl Rabeprazole Sulfide features a pyridine ring substituted with a methoxypropoxy group and a methyl group, which contributes to its unique chemical behavior. Researchers often explore this compound for its role in developing proton pump inhibitors (PPIs), a class of drugs widely used to treat acid-related gastrointestinal disorders. The CAS 1114543-47-3 identifier ensures precise identification in scientific literature and regulatory documentation.

One of the most frequently searched questions about this compound is: "What is the role of N-4-(3-Methoxypropoxy)-3-methyl-2-pyridinylmethyl Rabeprazole Sulfide in drug synthesis?" The answer lies in its function as a precursor in the production of Rabeprazole, a well-known PPI. The sulfide moiety in this intermediate can be further oxidized to the corresponding sulfoxide, a critical step in the synthesis of the active pharmaceutical ingredient (API). This process highlights the compound's importance in the pharmaceutical manufacturing pipeline.

Recent advancements in green chemistry have also sparked interest in the synthesis of N-4-(3-Methoxypropoxy)-3-methyl-2-pyridinylmethyl Rabeprazole Sulfide. Researchers are exploring eco-friendly catalysts and solvent-free conditions to improve the sustainability of its production. This aligns with the growing demand for environmentally responsible pharmaceutical processes, a topic frequently discussed in scientific forums and industry conferences.

The analytical characterization of CAS 1114543-47-3 typically involves techniques such as nuclear magnetic resonance (NMR) spectroscopy, high-performance liquid chromatography (HPLC), and mass spectrometry (MS). These methods ensure the purity and identity of the compound, which is crucial for its intended applications. Quality control protocols for this intermediate adhere to stringent pharmacopeial standards, reflecting its significance in drug development.

Market trends indicate a steady demand for N-4-(3-Methoxypropoxy)-3-methyl-2-pyridinylmethyl Rabeprazole Sulfide, driven by the increasing prevalence of gastrointestinal disorders and the need for effective PPIs. Pharmaceutical companies are investing in scalable synthesis routes to meet this demand while maintaining cost efficiency. Additionally, the compound's potential use in novel drug formulations is an area of active research, with studies exploring its derivatives for enhanced therapeutic effects.

In conclusion, N-4-(3-Methoxypropoxy)-3-methyl-2-pyridinylmethyl Rabeprazole Sulfide (CAS 1114543-47-3) is a vital intermediate in pharmaceutical chemistry, with applications spanning drug synthesis and beyond. Its unique structural features, combined with ongoing research into sustainable production methods, position it as a compound of enduring interest. For researchers and industry professionals, understanding its properties and market dynamics is essential for leveraging its full potential.

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