Cas no 112160-39-1 (2,2,5,7,8-Pentamethylchroman-6-sulfonyl chloride)

2,2,5,7,8-Pentamethylchroman-6-sulfonyl chloride is a specialized sulfonylating reagent used in organic synthesis, particularly for the introduction of sulfonate groups into target molecules. Its chroman backbone provides enhanced stability, while the pentamethyl substitution pattern improves reactivity and selectivity in sulfonylation reactions. This compound is particularly valuable in peptide chemistry and pharmaceutical intermediates, where it facilitates efficient derivatization under mild conditions. The electron-donating methyl groups further enhance its compatibility with sensitive substrates. Its high purity and consistent performance make it a reliable choice for researchers requiring precise sulfonylation in complex synthetic pathways.
2,2,5,7,8-Pentamethylchroman-6-sulfonyl chloride structure
112160-39-1 structure
Product Name:2,2,5,7,8-Pentamethylchroman-6-sulfonyl chloride
CAS No:112160-39-1
MF:C14H19ClO3S
MW:302.816862344742
MDL:MFCD00065693
CID:62907
PubChem ID:57648143
Update Time:2025-06-08

2,2,5,7,8-Pentamethylchroman-6-sulfonyl chloride Chemical and Physical Properties

Names and Identifiers

    • 2,2,5,7,8-Pentamethylchroman-6-sulfonyl chloride
    • 2,2,5,7,8-pentamethyl-3,4-dihydrochromene-6-sulfonyl chloride
    • 2,2,5,5-TETRAMETHYL-2,5-DIHYDROPYRAZINE-1,4-DIOXIDE
    • 2,2,5,7,8-pentamethyl
    • 2,2,5,7,8-pentamethyl-3,4-dihydro-2H-chromen-6-sulfonyl chloride
    • 2,2,5,7,8-pentamethyl-3,4-dihydro-2H-chromen-6-sulphonylchloride
    • 2,2,5,7,8-Pentamethyl-chromane-6-sulfonyl chloride
    • 2H-1-Benzopyran-6-sulfonylchloride,3,4-dihydro-2,2,5,7,8-pentamethyl
    • 3,4-Dihydro-2,2,5,7,8-pentamethyl-2H-1-benzopyran-6-sulfonyl chloride
    • pentamethylchromane-6-sulfonyl chloride
    • Pmc-Cl
    • A802502
    • SCHEMBL838416
    • DTXSID40402569
    • FT-0609120
    • 2,4-DIHYDROXY-3-(P-HYDROXYPHENYL)-PROPIOPHENONE
    • 2,2,5,7,8-pentamethylchroman-6-sulfonylChloride
    • 2,2,5,7,8-Pentamethylchroman-6-sulphonyl chloride
    • AKOS015889781
    • 2,2,5,7,8-Pentamethyl-chromane-6-sulfonyl chloride, >=97.0% (HPLC)
    • 112160-39-1
    • UXUOVYKDMGFUDU-UHFFFAOYSA-N
    • 2,2,5,7,8-pentamethyl-3,4-dihydro-2H-1-benzopyran-6-sulfonyl chloride
    • J-002717
    • MFCD00065693
    • DB-041046
    • 2,2,5,7,8-PENTAMETHYL-3,4-DIHYDRO-1-BENZOPYRAN-6-SULFONYL CHLORIDE
    • MDL: MFCD00065693
    • Inchi: 1S/C14H19ClO3S/c1-8-9(2)13(19(15,16)17)10(3)11-6-7-14(4,5)18-12(8)11/h6-7H2,1-5H3
    • InChI Key: UXUOVYKDMGFUDU-UHFFFAOYSA-N
    • SMILES: ClS(C1C(C)=C(C)C2=C(C=1C)CCC(C)(C)O2)(=O)=O

Computed Properties

  • Exact Mass: 302.07400
  • Monoisotopic Mass: 302.074
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 1
  • Complexity: 440
  • 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
  • Topological Polar Surface Area: 51.8A^2
  • XLogP3: 4

Experimental Properties

  • Density: 1.205
  • Melting Point: 77-82?°C
  • Boiling Point: 410.9°C at 760 mmHg
  • Flash Point: 202.3°C
  • Refractive Index: 1.526
  • PSA: 51.75000
  • LogP: 4.72370

2,2,5,7,8-Pentamethylchroman-6-sulfonyl chloride Security Information

  • Symbol: GHS05
  • Signal Word:Danger
  • Hazard Statement: H314
  • Warning Statement: P280-P305+P351+P338-P310
  • Hazardous Material transportation number:UN 3261
  • WGK Germany:3
  • Hazard Category Code: 34
  • Safety Instruction: S26-S36/37/39-S45
  • Hazardous Material Identification: C
  • Safety Term:S26;S36/37/39;S45
  • Packing Group:III
  • HazardClass:8
  • PackingGroup:III
  • Storage Condition:?20°C
  • Risk Phrases:R34
  • Packing Group:III

2,2,5,7,8-Pentamethylchroman-6-sulfonyl chloride Customs Data

  • HS CODE:2932999099
  • Customs Data:

    China Customs Code:

    2932999099

    Overview:

    2932999099. Other heterocyclic compounds containing only oxygen 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

    Summary:

    2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

2,2,5,7,8-Pentamethylchroman-6-sulfonyl chloride Pricemore >>

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2,2,5,7,8-Pentamethylchroman-6-sulfonyl chloride Production Method

2,2,5,7,8-Pentamethylchroman-6-sulfonyl chloride Suppliers

Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:112160-39-1)2,2,5,7,8-PENTAMETHYLCHROMAN-6-SULFONYL CHLORIDE
Order Number:sfd15190
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:37
Price ($):discuss personally

2,2,5,7,8-Pentamethylchroman-6-sulfonyl chloride Related Literature

  • 1. Synthesis of the suicide substrate D-propargylglycine stereospecifically labelled with deuterium and investigation of its oxidation by D-amino acid oxidase?1
    Nicola J. Church,Douglas W. Young J. Chem. Soc. Perkin Trans. 1 1998 1475

Additional information on 2,2,5,7,8-Pentamethylchroman-6-sulfonyl chloride

Introduction to 2,2,5,7,8-Pentamethylchroman-6-sulfonyl chloride (CAS No. 112160-39-1) and Its Applications in Modern Chemical Biology

2,2,5,7,8-Pentamethylchroman-6-sulfonyl chloride, identified by the Chemical Abstracts Service Number (CAS No.) 112160-39-1, is a highly specialized organic compound that has garnered significant attention in the field of chemical biology and pharmaceutical research. This compound belongs to the chromane family, characterized by a benzene ring fused with a cyclohexane ring. The presence of multiple methyl substituents and a sulfonyl chloride functional group at the 6-position imparts unique reactivity and makes it a valuable intermediate in synthetic chemistry and drug development.

The sulfonyl chloride moiety in this molecule is particularly noteworthy due to its strong electrophilic nature, which facilitates nucleophilic substitution reactions. This property is exploited in various synthetic pathways to introduce sulfonyl groups into more complex molecules, enabling the construction of bioactive scaffolds. The pentamethylchroman backbone provides stability and rigidity, making it an ideal candidate for designing molecules with specific spatial orientations required for biological interactions.

In recent years, there has been growing interest in 2,2,5,7,8-Pentamethylchroman-6-sulfonyl chloride for its potential applications in medicinal chemistry. Researchers have leveraged its structural features to develop novel compounds with therapeutic properties. For instance, derivatives of this compound have been explored as inhibitors of enzymes involved in inflammatory pathways. The sulfonyl group can be further functionalized to create potent pharmacophores that interact with biological targets with high selectivity.

One of the most compelling aspects of 2,2,5,7,8-Pentamethylchroman-6-sulfonyl chloride is its versatility in synthetic transformations. The sulfonyl chloride can be hydrolyzed to form sulfonic acids or reacted with amines to yield sulfonamides. These transformations are fundamental in constructing a wide range of biologically active molecules. Additionally, the chromane ring can undergo various modifications, such as oxidation or reduction, allowing for further diversification of the molecular structure.

Recent studies have highlighted the utility of 2,2,5,7,8-Pentamethylchroman-6-sulfonyl chloride in the development of photoactive compounds. The chromane core absorbs light in the visible spectrum and can be incorporated into materials designed for photodynamic therapy or as photosensitizers. The presence of electron-withdrawing groups like the sulfonyl chloride enhances the photophysical properties of these compounds, making them more effective in light-driven biological processes.

The pharmaceutical industry has also shown interest in this compound due to its potential as a building block for drug candidates. By modifying the sulfonyl group or the chromane ring, chemists can generate libraries of compounds for high-throughput screening. This approach has been instrumental in identifying novel therapeutics against various diseases. The structural motif present in 2,2,5,7,8-Pentamethylchroman-6-sulfonyl chloride is reminiscent of natural products known for their bioactivity.

In conclusion,2,2,5,7,8-Pentamethylchroman-6-sulfonyl chloride (CAS No. 112160-39-1) represents a fascinating compound with diverse applications in chemical biology and drug development. Its unique structural features and reactivity make it a valuable tool for synthetic chemists and medicinal chemists alike. As research continues to uncover new ways to exploit its potential,this compound is poised to play an increasingly important role in the discovery and development of innovative therapeutics.

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Suzhou Senfeida Chemical Co., Ltd
(CAS:112160-39-1)2,2,5,7,8-PENTAMETHYLCHROMAN-6-SULFONYL CHLORIDE
sfd15190
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
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