Cas no 1246217-34-4 (2-(5-(tert-Butyl)-2-hydroxyphenyl)-2-methylpropanenitrile)

2-(5-(tert-Butyl)-2-hydroxyphenyl)-2-methylpropanenitrile is a specialized organic compound featuring a phenolic hydroxyl group and a nitrile functionality, making it a versatile intermediate in fine chemical synthesis. Its tert-butyl substituent enhances steric hindrance, improving stability and selectivity in reactions. The compound’s structural design allows for applications in pharmaceuticals, agrochemicals, and advanced material synthesis, particularly where controlled reactivity or functional group compatibility is required. The presence of both electron-donating and electron-withdrawing groups enables tailored modifications, facilitating its use in cross-coupling and condensation reactions. High purity and consistent performance make it a reliable choice for research and industrial applications requiring precise molecular architecture.
2-(5-(tert-Butyl)-2-hydroxyphenyl)-2-methylpropanenitrile structure
1246217-34-4 structure
Product Name:2-(5-(tert-Butyl)-2-hydroxyphenyl)-2-methylpropanenitrile
CAS No:1246217-34-4
MF:C14H19NO
MW:217.306763887405
CID:842813
PubChem ID:59544165
Update Time:2025-05-28

2-(5-(tert-Butyl)-2-hydroxyphenyl)-2-methylpropanenitrile Chemical and Physical Properties

Names and Identifiers

    • 2-(5-(tert-Butyl)-2-hydroxyphenyl)-2-methylpropanenitrile
    • 2-(5-tert-butyl-2-hydroxyphenyl)-2-methylpropanenitrile
    • Benzeneacetonitrile, 5-(1,1-dimethylethyl)-2-hydroxy-alpha,alpha-dimethyl-
    • Benzeneacetonitrile, 5-(1,1-diMethylethyl)-2-hydroxy-α,α-diMethyl-
    • DB-337675
    • 1246217-34-4
    • WLIHLHSPHAERGL-UHFFFAOYSA-N
    • DTXSID30732347
    • SCHEMBL768840
    • Inchi： 1S/C14H19NO/c1-13(2,3)10-6-7-12(16)11(8-10)14(4,5)9-15/h6-8,16H,1-5H3
    • InChI Key： WLIHLHSPHAERGL-UHFFFAOYSA-N
    • SMILES： OC1C=CC(=CC=1C(C#N)(C)C)C(C)(C)C

Computed Properties

  • Exact Mass: 217.146664230g/mol
  • Monoisotopic Mass: 217.146664230g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 292
  • 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: 3.8
  • Topological Polar Surface Area: 44?2

2-(5-(tert-Butyl)-2-hydroxyphenyl)-2-methylpropanenitrile Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
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2-(5-(tert-Butyl)-2-hydroxyphenyl)-2-methylpropanenitrile
 1246217-34-4 95%
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 $571.20 2023-09-03
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
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2-(5-(tert-Butyl)-2-hydroxyphenyl)-2-methylpropanenitrile
 1246217-34-4 98%
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Crysdot LLC
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 1246217-34-4 95+%
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 $668 2024-07-23

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