Cas no 63799-11-1 ((S)-4'-(2-Methylbutyl)-1,1'-biphenyl-4-carbonitrile)

(S)-4'-(2-Methylbutyl)-1,1'-biphenyl-4-carbonitrile is a chiral biphenyl derivative featuring a 2-methylbutyl substituent and a cyano functional group. This compound is of interest in organic synthesis and materials science due to its stereospecific structure, which can influence optical and electronic properties. The presence of the nitrile group enhances its utility as an intermediate in the preparation of liquid crystals, pharmaceuticals, and advanced polymers. Its chiral center allows for applications in asymmetric synthesis and enantioselective catalysis. The compound exhibits high purity and stability under standard conditions, making it suitable for precise research and industrial applications requiring controlled molecular architecture.
(S)-4'-(2-Methylbutyl)-1,1'-biphenyl-4-carbonitrile structure
63799-11-1 structure
Product Name:(S)-4'-(2-Methylbutyl)-1,1'-biphenyl-4-carbonitrile
CAS No:63799-11-1
MF:C18H19N
MW:249.350164651871
MDL:MFCD00192280
CID:58085
PubChem ID:253661140
Update Time:2025-10-12

(S)-4'-(2-Methylbutyl)-1,1'-biphenyl-4-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • (S)-4'-(2-Methylbutyl)[1,1'-biphenyl]-4-carbonitrile
    • 4-(S)-2-Methylbutyl-4'-cyanobiphenyl
    • 4-[4-[(2S)-2-Methylbutyl]phenyl]benzonitrile
    • (S)-4-Cyano-4'-(2-methylbutyl)biphenyl
    • (S)-4'-(2-Methylbutyl)[1,1'-biphenyl]-4'-carbonitrile
    • (S)-4'-(2-Methylbutyl)-[1,1'-biphenyl]-4-carbonitrile
    • (S)-4-(2-Methylbutyl)biphenyl-4'-carbonitrile
    • CB-15
    • (S)-4'-(2-Methylbutyl)-4-biphenylcarbonitrile
    • [1,1'-Biphenyl]-4-carbonitrile,4'-[(2S)-2-methylbutyl]-
    • (1,1'-Biphenyl)-4-carbonitrile, 4'-((2S)-2-methylbutyl)-
    • [1,1'-Biphenyl]-4-carbonitrile, 4'-[(2S)-2-methylbutyl]-
    • (S)-4'-(2-Methylbutyl)(1,1'-biphenyl)-4-carbonitrile
    • AK167073
    • 4-Cyano-4'-(2-methylbut-1-yl)biphenyl
    • AKOS015918092
    • 4-cyano-4'-((s)-2-methylbutyl)biphenyl
    • SCHEMBL1533878
    • DTXSID80886309
    • CS-W012657
    • F16573
    • 63799-11-1
    • A868033
    • DS-9216
    • MFCD00192280
    • EINECS 264-464-8
    • NS00054332
    • C2913
    • DB-362439
    • DNJQGRFZQMOYGM-AWEZNQCLSA-N
    • 4'-[(2S)-2-METHYLBUTYL]-[1,1'-BIPHENYL]-4-CARBONITRILE
    • (S)-4'-(2-Methylbutyl)-1,1'-biphenyl-4-carbonitrile
    • MDL： MFCD00192280
    • Inchi： 1S/C18H19N/c1-3-14(2)12-15-4-8-17(9-5-15)18-10-6-16(13-19)7-11-18/h4-11,14H,3,12H2,1-2H3/t14-/m0/s1
    • InChI Key： DNJQGRFZQMOYGM-AWEZNQCLSA-N
    • SMILES： N#CC1C=CC(=CC=1)C1C=CC(=CC=1)C[C@@H](C)CC

Computed Properties

  • Exact Mass: 249.15200
  • Monoisotopic Mass: 249.152
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 4
  • Complexity: 297
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 23.8
  • XLogP3: 5.4

Experimental Properties

  • Color/Form: No data available
  • Density: 1.017-1.02
  • Melting Point: No data available
  • Boiling Point: 388.8°C at 760 mmHg
  • Flash Point: 190.1±17.3 °C
  • Refractive Index: 1.5920-1.5960
  • PSA: 23.79000
  • LogP: 4.81388

(S)-4'-(2-Methylbutyl)-1,1'-biphenyl-4-carbonitrile Security Information

(S)-4'-(2-Methylbutyl)-1,1'-biphenyl-4-carbonitrile Pricemore >>

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(S)-4'-(2-Methylbutyl)-1,1'-biphenyl-4-carbonitrile Suppliers

Amadis Chemical Company Limited
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Audited Supplier Audited Supplier
(CAS:63799-11-1)(S)-4'-(2-Methylbutyl)-1,1'-biphenyl-4-carbonitrile
Order Number:A868033
Stock Status:in Stock
Quantity:5g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 09:09
Price ($):169.0

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Amadis Chemical Company Limited
(CAS:63799-11-1)(S)-4'-(2-Methylbutyl)-1,1'-biphenyl-4-carbonitrile
A868033
Purity:99%
Quantity:5g
Price ($):169.0
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