Cas no 169677-20-7 (4-TERT-AMYLBENZENESULFONYL CHLORIDE)

4-TERT-AMYLBENZENESULFONYL CHLORIDE is a versatile organic intermediate with high purity, suitable for synthesizing various pharmaceuticals and agrochemicals. It offers improved solubility and reactivity, enhancing reaction yields and efficiency in chemical synthesis. The compound's stability under various reaction conditions makes it a preferred choice for complex organic transformations.
4-TERT-AMYLBENZENESULFONYL CHLORIDE structure
169677-20-7 structure
Product Name:4-TERT-AMYLBENZENESULFONYL CHLORIDE
CAS No:169677-20-7
MF:C11H15ClO2S
MW:246.753601312637
MDL:MFCD00041509
CID:92057
PubChem ID:22281976
Update Time:2025-07-19

4-TERT-AMYLBENZENESULFONYL CHLORIDE Chemical and Physical Properties

Names and Identifiers

    • 4-(tert-Pentyl)benzene-1-sulfonyl chloride
    • 4-(1,1-Dimethylpropyl)benzenesulphonyl chloride~4-[2-(2-Methylbutyl)]benzenesulphonyl chloride~4-tert-Pentylbenzenesulphonyl chloride
    • 4-(1,1-dimethylpropyl)benzenesulfonyl chloride
    • 4-(2-methylbutan-2-yl)benzenesulfonyl chloride
    • 4-tert-amylbenzene-sulfonyl chloride
    • 4-TERT-AMYLBENZENESULFONYL CHLORIDE
    • 4-Tert-AmYl-Benzenesulphonyl Chloride
    • 4-tert-pentyl-benzenesulfonyl chloride
    • 4-tert-Pentyl-benzolsulfonylchlorid
    • 4-t-pentylbenzenesulfonyl chloride
    • 4-TERT-AMYLBENZENESULPHONYL CHLORIDE
    • 4-tert-pentylbenzenesulfonyl chloride
    • 4-[2-(2-Methylbutyl)]benzenesulfonylchloride
    • Benzenesulfonyl Chloride, 4-(1,1-Dimethylpropyl)
    • Benzenesulfonyl chloride, 4-(1,1-dimethylpropyl)- (9CI)
    • 4-(1,1-Dimethylpropyl)benzenesulfonylchloride
    • 4-(1,1-Dimethylpropyl)Benzenesulphonyl Chloride~4-[2-(2-Methylbutyl)]Benzenesulphonyl Chloride~4-Tert-Pentylbenzenesulphonyl Chloride
    • AS-62466
    • 4-tert-pentylbenzene-1-sulfonyl chloride
    • DTXSID20624308
    • 4-(tert-Pentyl)benzenesulfonyl Chloride
    • MFCD00041509
    • 169677-20-7
    • CS-0265104
    • FT-0619473
    • AKOS006223880
    • 4-tert-Amylbenzenesulphonyl chloride, AldrichCPR
    • SY192444
    • EN300-96514
    • 4-(2-methylbutan-2-yl)benzene-1-sulfonyl chloride
    • SCHEMBL344370
    • 4-(1,1-dimethyl-propyl)-benzenesulfonyl chloride
    • 4-(1,1-dimethyl-propyl)-benzenesulfonylchloride
    • MDL: MFCD00041509
    • Inchi: 1S/C11H15ClO2S/c1-4-11(2,3)9-5-7-10(8-6-9)15(12,13)14/h5-8H,4H2,1-3H3
    • InChI Key: WLBQFZZPRWQTGR-UHFFFAOYSA-N
    • SMILES: ClS(C1C=CC(=CC=1)C(C)(C)CC)(=O)=O
    • BRN: 2102813

Computed Properties

  • Exact Mass: 246.04800
  • Monoisotopic Mass: 246.0481286g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 295
  • 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: 4.2
  • Topological Polar Surface Area: 42.5?2

Experimental Properties

  • Color/Form: White solid
  • Density: 1.179
  • Melting Point: 44-49°C
  • Boiling Point: 311.4°Cat760mmHg
  • Flash Point: 142.1°C
  • Refractive Index: 1.519
  • PSA: 42.52000
  • LogP: 4.38250
  • Sensitiveness: Moisture Sensitive
  • Solubility: React with water

4-TERT-AMYLBENZENESULFONYL CHLORIDE Security Information

  • Hazardous Material transportation number:3261
  • Hazard Category Code: 34
  • Safety Instruction: S26-S36/37/39-S45
  • Safety Term:S26;S36/37/39;S45
  • Risk Phrases:R34
  • HazardClass:8
  • PackingGroup:II

4-TERT-AMYLBENZENESULFONYL CHLORIDE Customs Data

  • HS CODE:2904909090
  • Customs Data:

    China Customs Code:

    2904909090

    Overview:

    2904909090 Sulfonation of other hydrocarbons\nitrification\Nitrosative derivative(Whether halogenated or not). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    HS:2904909090 sulphonated, nitrated or nitrosated derivatives of hydrocarbons, whether or not halogenated VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

4-TERT-AMYLBENZENESULFONYL CHLORIDE Pricemore >>

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Additional information on 4-TERT-AMYLBENZENESULFONYL CHLORIDE

Professional Introduction to 4-TERT-AMYLBENZENESULFONYL CHLORIDE (CAS No. 169677-20-7)

4-TERT-AMYLBENZENESULFONYL CHLORIDE, with the chemical formula C10H13ClO2S, is a specialized sulfonate derivative that has garnered significant attention in the field of pharmaceutical chemistry and organic synthesis. This compound, identified by its CAS number 169677-20-7, serves as a versatile intermediate in the development of novel therapeutic agents and fine chemicals. Its unique structural features, particularly the presence of a tert-butyl group and a sulfonyl chloride moiety, make it a valuable reagent for constructing complex molecular architectures.

The tert-butyl group in 4-TERT-AMYLBENZENESULFONYL CHLORIDE contributes to its stability and reactivity, enabling its use in various synthetic transformations. The sulfonyl chloride functionality is particularly noteworthy, as it facilitates nucleophilic substitution reactions, allowing for the introduction of diverse side chains or functional groups. These properties have made this compound a staple in the synthesis of biologically active molecules, including potential drug candidates.

In recent years, advancements in medicinal chemistry have highlighted the importance of sulfonamide derivatives in drug design. 4-TERT-AMYLBENZENESULFONYL CHLORIDE plays a crucial role in this context by serving as a precursor for sulfonamides, which are known for their broad spectrum of biological activities. For instance, modifications of the tert-butylsulfonyl group can lead to compounds with enhanced solubility and metabolic stability, critical factors in pharmaceutical development.

One of the most compelling applications of 4-TERT-AMYLBENZENESULFONYL CHLORIDE is in the synthesis of protease inhibitors. Proteases are enzymes that play essential roles in various physiological processes, and their inhibition is a key strategy in treating diseases such as cancer and inflammation. The ability to introduce bulky substituents via sulfonyl chloride reactions allows chemists to design inhibitors that interact tightly with the active sites of these enzymes. Recent studies have demonstrated that derivatives of 4-TERT-AMYLBENZENESULFONYL CHLORIDE exhibit promising inhibitory activity against certain proteases, warranting further investigation.

The compound’s utility extends beyond protease inhibition. Researchers have explored its use in developing kinase inhibitors, which are critical for treating cancers and other disorders involving abnormal cell proliferation. The tert-butylsulfonyl group provides a stable scaffold that can be modified to target specific kinase domains. Preliminary findings suggest that certain derivatives show potent activity against kinases while maintaining favorable pharmacokinetic profiles.

Another area where 4-TERT-AMYLBENZENESULFONYL CHLORIDE has shown promise is in the development of antimicrobial agents. Sulfonamides are well-known for their antibacterial properties, and modifications of their core structure can lead to enhanced efficacy against resistant strains. The synthetic versatility of 4-TERT-AMYLBENZENESULFONYL CHLORIDE allows for the creation of novel sulfonamide derivatives with improved spectrum coverage and reduced toxicity.

The synthesis of 4-TERT-AMYLBENZENESULFONYL CHLORIDE itself is an intriguing process that exemplifies modern organic chemistry techniques. Typically, it involves the reaction of t-butyl benzene sulfonyl chloride with a suitable nucleophile or undergoes further functionalization via cross-coupling reactions. These synthetic pathways highlight the compound’s adaptability and its potential for further derivatization.

In conclusion, 4-TERT-AMYLBENZENESULFONYL CHLORIDE (CAS No. 169677-20-7) is a multifaceted compound with significant implications in pharmaceutical research and development. Its unique structural features enable diverse synthetic applications, making it indispensable for chemists working on drug discovery. As research continues to uncover new therapeutic targets and methodologies, the role of 4-TERT-AMYLBENZENESULFONYL CHLORIDE is expected to expand further, solidifying its position as a cornerstone in modern medicinal chemistry.

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